2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene

C59H95N11O3S3 — CID 160737808

IUPAC2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene
SMILESCC1=NCCO1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.Cc1ccc[nH]1.Cc1ccncn1.Cc1ccnnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/4C5H6N2.C5H11N.C5H7N.2C5H10O.C5H10S.C5H6S.C5H10S.C4H7NO/c1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3
InChIKeyRVEIZERCOHFNGX-UHFFFAOYSA-N
MW1102.68 g/mol
LogP13.60
Rot. Bonds

About 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene

2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene (PubChem CID 160737808) has the molecular formula C59H95N11O3S3 and a molecular weight of 1102.68 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene
PubChem CID160737808
Molecular FormulaC59H95N11O3S3
Molecular Weight1102.68 g/mol
Exact Mass1101.68
IUPAC Name2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene
SMILESCC1=NCCO1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.Cc1ccc[nH]1.Cc1ccncn1.Cc1ccnnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1
InChIInChI=1S/4C5H6N2.C5H11N.C5H7N.2C5H10O.C5H10S.C5H6S.C5H10S.C4H7NO/c1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3
InChIKeyRVEIZERCOHFNGX-UHFFFAOYSA-N
XLogP13.60
TPSA170.99 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001102.68
LogP ≤ 513.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1H-imidazole;methane;1-methylimidazole;2-methylpyrazine;bis(1-methylpyrazole);3-methylpyridazine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 157090702
ethane;1H-imidazole;octakis(2-methylpropane);4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;thiophene;1,2,4-triazine
CID 158291244
1-cyano-2-ethylguanidine;ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;N-ethyl-N,1-dimethyl-4,5-dihydroimidazol-2-amine;2-ethyl-1,1-dimethylguanidine;2-ethylguanidine;1-ethylimidazole;N-ethyl-N-methylbenzenecarboximidamide;N-ethyl-N-methylcyclopropanecarboximidamide;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine;N-ethyl-N-methylethanimidamide;1-ethyl-1-methylguanidine;1-ethyl-3-methylimidazolidin-2-imine;1-ethyl-4-methylpiperazine;N-ethyl-N-methylpyridine-4-carboximidamide;N-ethyl-N-methylthiophene-2-carboximidamide;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethylpyrrolidin-2-imine;1-ethyl-1,2,4-triazole;1-ethyl-1,3,3-trimethylguanidine
CID 158472178
ethane;2-propan-2-ylcyclopenta-1,3-diene;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
CID 158584158
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-propan-2-ylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;thiophene;1,2,4-triazine
CID 158900124
ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;N-ethyl-N,1-dimethyl-4,5-dihydroimidazol-2-amine;1-ethylimidazole;N-ethyl-N-methylbenzenecarboximidamide;N-ethyl-N-methylcyclopropanecarboximidamide;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine;N-ethyl-N-methylethanimidamide;1-ethyl-4-methylpiperazine;N-ethyl-N-methylpyridine-4-carboximidamide;N-ethyl-N-methylthiophene-2-carboximidamide;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethyl-1,2,4-triazole;1-ethyl-1,3,3-trimethylguanidine
CID 159033296
ethane;2-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1,2,4,5-tetrazine;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
CID 159099458
N-(2,2-dimethylpropyl)pyrimidin-2-amine;1-(2-methoxyethyl)-3-(2-methylpropyl)pyrrolidine;1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine;N-[(4-methylmorpholin-3-yl)methyl]propan-2-amine;2-(4-methylpentyl)pyrazine;3-(4-methylpentyl)pyridine;4-(4-methylpentyl)pyridine;2-(4-methylpentyl)pyrimidine;2-methyl-N-propan-2-ylpropan-1-amine;4-(2-methylpropyl)oxane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N-(oxan-2-ylmethyl)propan-2-amine;N-[2-(oxolan-2-yl)ethyl]propan-2-amine;N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-propan-2-ylpropan-2-amine;3-propan-2-ylpyridine;N'-propan-2-yl-N-pyridin-2-ylpropane-1,3-diamine;2-propan-2-ylthiophene;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine
CID 159641246
6-methyl-N-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;6-methyl-N-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
CID 160273129
cumene;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene
CID 160325167
1-cyclopropylethanimine;1,2-dimethyl-4,5-dihydroimidazole;ethanamine;ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;1-ethylimidazole;1-ethyl-3-methylimidazolidin-2-imine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethylpyrrolidin-2-imine;1-ethyl-1,2,4-triazole;2-methyl-4,5-dihydro-1H-imidazole;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;1-phenylethanimine;propan-2-imine;1-pyridin-4-ylethanimine;1-thiophen-2-ylethanimine
CID 160659800
bis(methylcyclopentane);2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;2-methylpyrazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiophene
CID 160756060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene (CID 160737808) is 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene is CC1=NCCO1.CC1CCCN1.CC1CCCO1.CC1CCCS1.CC1CCOC1.CC1CCSC1.Cc1ccc[nH]1.Cc1ccncn1.Cc1ccnnc1.Cc1ccsc1.Cc1cnccn1.Cc1ncccn1.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene?
The InChIKey is RVEIZERCOHFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H6N2.C5H11N.C5H7N.2C5H10O.C5H10S.C5H6S.C5H10S.C4H7NO/c1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;2*1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-5-2-3-6-4/h4*2-4H,1H3;5-6H,2-4H2,1H3;2-4,6H,1H3;3*5H,2-4H2,1H3;2-4H,1H3;5H,2-4H2,1H3;2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene?
2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene has a molecular weight of 1102.68 g/mol, XLogP of 13.60, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyrazine;4-methylpyridazine;2-methylpyrimidine;4-methylpyrimidine;2-methyl-1H-pyrrole;2-methylpyrrolidine;2-methylthiolane;3-methylthiolane;3-methylthiophene is sourced from PubChem (CID 160737808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).