4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide

C16H15N5O3 — CID 42628367

IUPAC4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C16H15N5O3/c1-10(11-5-3-2-4-6-11)19-15(22)13-14(18-9-17-13)16(23)20-12-7-8-24-21-12/h2-10H,1H3,(H,17,18)(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyIVAFWYSYNSSCQT-SNVBAGLBSA-N
MW325.33 g/mol
LogP2.14
Rot. Bonds5

About 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide

4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 42628367) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID42628367
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
InChIInChI=1S/C16H15N5O3/c1-10(11-5-3-2-4-6-11)19-15(22)13-14(18-9-17-13)16(23)20-12-7-8-24-21-12/h2-10H,1H3,(H,17,18)(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyIVAFWYSYNSSCQT-SNVBAGLBSA-N
XLogP2.14
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide with MolForge

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Related Compounds

N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995
benzyl 2-[[4-[[(1S)-1-phenylethyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 24789487
4-[[(1S)-1-(furan-2-yl)ethyl]carbamoyl]-1H-imidazole-5-carboxylic acid
CID 81407932
4-benzoyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
CID 100623674
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 46904059
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
CID 16592228

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide (CID 42628367) is 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide is C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1.
What is the InChIKey of 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is IVAFWYSYNSSCQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-10(11-5-3-2-4-6-11)19-15(22)13-14(18-9-17-13)16(23)20-12-7-8-24-21-12/h2-10H,1H3,(H,17,18)(H,19,22)(H,20,21,23)/t10-/m1/s1.
What are the key properties of 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide?
4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 325.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 42628367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).