(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide

C17H18N4O2 — CID 96540684

IUPAC(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
SMILESCCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)on2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-13-4-6-14(7-5-13)15-10-16(23-20-15)19-17(22)12(2)21-9-8-18-11-21/h4-12H,3H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyWIJGNMXAYCXEBM-LBPRGKRZSA-N
MW310.36 g/mol
LogP3.30
Rot. Bonds5

About (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide

(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide (PubChem CID 96540684) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
PubChem CID96540684
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide
SMILESCCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)on2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-13-4-6-14(7-5-13)15-10-16(23-20-15)19-17(22)12(2)21-9-8-18-11-21/h4-12H,3H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyWIJGNMXAYCXEBM-LBPRGKRZSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56570106
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
2-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56529980
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 56529981
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
3-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56530069
2-chloro-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56569965
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide (CID 96540684) is (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide is CCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)on2)cc1.
What is the InChIKey of (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is WIJGNMXAYCXEBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-13-4-6-14(7-5-13)15-10-16(23-20-15)19-17(22)12(2)21-9-8-18-11-21/h4-12H,3H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide?
(2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 310.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 96540684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).