ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole

C27H47N5OS — CID 159018347

IUPACethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.Cc1cccnc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1
InChIInChI=1S/C6H7N.C5H6N2.C4H5NO.C4H5NS.4C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-4-2-5-3-6-4;4*1-2/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3
InChIKeyJTJIHVXKUFINSX-UHFFFAOYSA-N
MW489.77 g/mol
LogP8.71
Rot. Bonds

About ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole

ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole (PubChem CID 159018347) has the molecular formula C27H47N5OS and a molecular weight of 489.77 g/mol. Its IUPAC name is ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
PubChem CID159018347
Molecular FormulaC27H47N5OS
Molecular Weight489.77 g/mol
Exact Mass489.35
IUPAC Nameethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.Cc1cccnc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1
InChIInChI=1S/C6H7N.C5H6N2.C4H5NO.C4H5NS.4C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-4-2-5-3-6-4;4*1-2/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3
InChIKeyJTJIHVXKUFINSX-UHFFFAOYSA-N
XLogP8.71
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.77
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole 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

1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 22970846
2-(1,3-Oxazol-5-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274622
2-(1,3-Oxazol-5-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274623
2-(1,3-Oxazol-5-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587257
2-(1,3-Oxazol-5-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68605447
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
Methane;6-methyl-4-propan-2-ylpyridin-2-amine;5-propan-2-yl-1,3-oxazol-2-amine;4-propan-2-ylpyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1,3-thiazol-2-amine
CID 157371957
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
Benzene;cyclohexene;ethane;1,3-oxazole;pyridine;pyrimidine;thiophene
CID 157927650
1-Methyl-3-tritiobenzene;1-methyl-4-tritiobenzene;2-methyl-5-tritio-1,3-oxazole;5-methyl-2-tritio-1,3-oxazole;5-methyl-2-tritiopyridine;5-methyl-2-tritiopyrimidine;2-methyl-5-tritio-1,3-thiazole;5-methyl-2-tritio-1,3-thiazole
CID 158077140
2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158604194
2-Ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole
CID 158655434

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The IUPAC name of ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole (CID 159018347) is ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole is CC.CC.CC.CC.Cc1cccnc1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.
What is the InChIKey of ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
The InChIKey is JTJIHVXKUFINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.C4H5NO.C4H5NS.4C2H6/c1-6-3-2-4-7-5-6;1-5-2-6-4-7-3-5;2*1-4-2-5-3-6-4;4*1-2/h2-5H,1H3;2-4H,1H3;2*2-3H,1H3;4*1-2H3.
What are the key properties of ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole?
ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole has a molecular weight of 489.77 g/mol, XLogP of 8.71, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole is sourced from PubChem (CID 159018347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).