4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole

C10H14N2O — CID 6618936

IUPAC4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2cccn2C)=N1
InChIInChI=1S/C10H14N2O/c1-3-8-7-13-10(11-8)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3
InChIKeyWBBDZBLMBVQNJH-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.58
Rot. Bonds2

About 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole

4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 6618936) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID6618936
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2cccn2C)=N1
InChIInChI=1S/C10H14N2O/c1-3-8-7-13-10(11-8)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3
InChIKeyWBBDZBLMBVQNJH-UHFFFAOYSA-N
XLogP1.58
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl Picolinimidate
CID 152260
Ethyl 1-methylpyrrole-2-carboxylate
CID 90112
2-(Methoxymethyl)pyridine
CID 253220
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
CID 14337774
1-(1-Methyl-1H-pyrrol-2-yl)-2-piperidin-1-yl-ethanol
CID 11206576
1-Methyl-1H-pyrrole-2-methanol
CID 148557
3-((2-(Dimethylamino)propoxy)methyl)pyridine
CID 3025107
Pyridine, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-
CID 3724387
Ethyl pyridine-2-carboximidate
CID 12263944
4-Methyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
CID 9551170
3-(1-Methyl-pyrrolidin-3-yloxymethyl)-pyridine
CID 18723105
(4S)-4-methyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 6711319

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole (CID 6618936) is 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole is CCC1COC(c2cccn2C)=N1.
What is the InChIKey of 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WBBDZBLMBVQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-8-7-13-10(11-8)9-5-4-6-12(9)2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole?
4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 178.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methylpyrrol-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 6618936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).