5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide

C24H20N4O4 — CID 46417646

IUPAC5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)no1
InChIInChI=1S/C24H20N4O4/c1-31-21-13-6-5-12-19(21)22-15-20(28-32-22)23(29)25-17-10-7-11-18(14-17)27-24(30)26-16-8-3-2-4-9-16/h2-15H,1H3,(H,25,29)(H2,26,27,30)
InChIKeyONUZSOODRRTPIZ-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.25
Rot. Bonds6

About 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide

5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 46417646) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID46417646
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)no1
InChIInChI=1S/C24H20N4O4/c1-31-21-13-6-5-12-19(21)22-15-20(28-32-22)23(29)25-17-10-7-11-18(14-17)27-24(30)26-16-8-3-2-4-9-16/h2-15H,1H3,(H,25,29)(H2,26,27,30)
InChIKeyONUZSOODRRTPIZ-UHFFFAOYSA-N
XLogP5.25
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 47028094
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417635
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417426
N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3245080
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide (CID 46417646) is 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)no1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ONUZSOODRRTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-31-21-13-6-5-12-19(21)22-15-20(28-32-22)23(29)25-17-10-7-11-18(14-17)27-24(30)26-16-8-3-2-4-9-16/h2-15H,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).