4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid

C14H14N2O4 — CID 60942171

IUPAC4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
SMILESCc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)co1
InChIInChI=1S/C14H14N2O4/c1-9-15-12(8-20-9)10-2-4-11(5-3-10)16-13(17)6-7-14(18)19/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeySHKQDRAHDSFAAS-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.45
Rot. Bonds5

About 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid

4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid (PubChem CID 60942171) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
PubChem CID60942171
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
SMILESCc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)co1
InChIInChI=1S/C14H14N2O4/c1-9-15-12(8-20-9)10-2-4-11(5-3-10)16-13(17)6-7-14(18)19/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeySHKQDRAHDSFAAS-UHFFFAOYSA-N
XLogP2.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 79199388
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
4-[4-[4-(3-carboxypropanoylamino)phenyl]anilino]-4-oxobutanoic acid
CID 18877617
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 104683963
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37243915
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid (CID 60942171) is 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid is Cc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)co1.
What is the InChIKey of 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid?
The InChIKey is SHKQDRAHDSFAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-15-12(8-20-9)10-2-4-11(5-3-10)16-13(17)6-7-14(18)19/h2-5,8H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid?
4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 60942171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).