5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide

C21H22N4O3 — CID 31888702

IUPAC5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)22-21(27)24-17-11-7-10-16(12-17)23-19(26)18-14(3)28-20(25-18)15-8-5-4-6-9-15/h4-13H,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyNQDSZPZTQABQGO-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.43
Rot. Bonds5

About 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide

5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 31888702) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID31888702
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)NC(C)C)c1
InChIInChI=1S/C21H22N4O3/c1-13(2)22-21(27)24-17-11-7-10-16(12-17)23-19(26)18-14(3)28-20(25-18)15-8-5-4-6-9-15/h4-13H,1-3H3,(H,23,26)(H2,22,24,27)
InChIKeyNQDSZPZTQABQGO-UHFFFAOYSA-N
XLogP4.43
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 24560242
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
2-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119223590
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
2-phenyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 57394997
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide (CID 31888702) is 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(NC(=O)NC(C)C)c1.
What is the InChIKey of 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NQDSZPZTQABQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)22-21(27)24-17-11-7-10-16(12-17)23-19(26)18-14(3)28-20(25-18)15-8-5-4-6-9-15/h4-13H,1-3H3,(H,23,26)(H2,22,24,27).
What are the key properties of 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 31888702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).