5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 95301132

IUPAC5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H16N4O2/c1-10-8-13(20-22-10)16(21)18-11(2)15-17-9-14(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H,18,21)/t11-/m1/s1
InChIKeyPCLMRWWMLWOECO-LLVKDONJSA-N
MW296.33 g/mol
LogP2.86
Rot. Bonds4

About 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95301132) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID95301132
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H16N4O2/c1-10-8-13(20-22-10)16(21)18-11(2)15-17-9-14(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H,18,21)/t11-/m1/s1
InChIKeyPCLMRWWMLWOECO-LLVKDONJSA-N
XLogP2.86
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
CID 47076390
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
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3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084197
N-[(2S)-1-[[(1S)-1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]ethyl]amino]-1,4-dioxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 155164655
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 95301132) is 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)no1.
What is the InChIKey of 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PCLMRWWMLWOECO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-13(20-22-10)16(21)18-11(2)15-17-9-14(19-15)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)(H,18,21)/t11-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95301132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).