5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

C24H18N2O5 — CID 70168568

IUPAC5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)O)cc2)cc1
InChIInChI=1S/C24H18N2O5/c1-30-19-13-9-16(10-14-19)22(27)25-18-11-7-15(8-12-18)21-20(24(28)29)26-23(31-21)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,27)(H,28,29)
InChIKeyUAHXYRKEKSTZFA-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.97
Rot. Bonds6

About 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid

5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 70168568) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID70168568
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)O)cc2)cc1
InChIInChI=1S/C24H18N2O5/c1-30-19-13-9-16(10-14-19)22(27)25-18-11-7-15(8-12-18)21-20(24(28)29)26-23(31-21)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,27)(H,28,29)
InChIKeyUAHXYRKEKSTZFA-UHFFFAOYSA-N
XLogP4.97
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-[4-[(2-phenoxyacetyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168642
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 70168521
5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 142162629
2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70166519
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(2,5-dimethoxyphenyl)-5-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162262

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 70168568) is 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is COc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)O)cc2)cc1.
What is the InChIKey of 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is UAHXYRKEKSTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-30-19-13-9-16(10-14-19)22(27)25-18-11-7-15(8-12-18)21-20(24(28)29)26-23(31-21)17-5-3-2-4-6-17/h2-14H,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 414.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).