2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid

C20H18N2O4 — CID 69436330

IUPAC2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid
SMILESCc1onc(-c2ccccc2)c1-c1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-13-18(19(21-26-13)15-6-4-3-5-7-15)14-8-10-16(11-9-14)20(25)22(2)12-17(23)24/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyWKXMNUBULNHBGZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.47
Rot. Bonds5

About 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid

2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid (PubChem CID 69436330) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid
PubChem CID69436330
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid
SMILESCc1onc(-c2ccccc2)c1-c1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C20H18N2O4/c1-13-18(19(21-26-13)15-6-4-3-5-7-15)14-8-10-16(11-9-14)20(25)22(2)12-17(23)24/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyWKXMNUBULNHBGZ-UHFFFAOYSA-N
XLogP3.47
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]methanesulfinic acid
CID 167387476
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylbutanamide
CID 10501495
methyl 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate
CID 91810729
2,2-dimethyl-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
CID 22643578
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid (CID 69436330) is 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid is Cc1onc(-c2ccccc2)c1-c1ccc(C(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid?
The InChIKey is WKXMNUBULNHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-18(19(21-26-13)15-6-4-3-5-7-15)14-8-10-16(11-9-14)20(25)22(2)12-17(23)24/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid?
2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 69436330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).