N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide

C16H16N4O2 — CID 97066738

IUPACN-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-11-15(19-10-22-11)16(21)20-13(9-14-17-7-8-18-14)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,17,18)(H,20,21)/t13-/m1/s1
InChIKeyGYEQKHHMZRKQOM-CYBMUJFWSA-N
MW296.33 g/mol
LogP2.42
Rot. Bonds5

About N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 97066738) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID97066738
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-11-15(19-10-22-11)16(21)20-13(9-14-17-7-8-18-14)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,17,18)(H,20,21)/t13-/m1/s1
InChIKeyGYEQKHHMZRKQOM-CYBMUJFWSA-N
XLogP2.42
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
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CID 17458112
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
CID 17454227
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
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N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
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N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]imidazo[1,5-a]pyridine-7-carboxamide
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(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
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1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 17493216
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97254503

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 97066738) is N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GYEQKHHMZRKQOM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-15(19-10-22-11)16(21)20-13(9-14-17-7-8-18-14)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,17,18)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 97066738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).