4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid

C15H16N2O4 — CID 146143246

IUPAC4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
SMILESCc1nc(CNC(=O)CCc2ccc(C(=O)O)cc2)co1
InChIInChI=1S/C15H16N2O4/c1-10-17-13(9-21-10)8-16-14(18)7-4-11-2-5-12(6-3-11)15(19)20/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMLRSCZNVABVAOG-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.93
Rot. Bonds6

About 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid

4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid (PubChem CID 146143246) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
PubChem CID146143246
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
SMILESCc1nc(CNC(=O)CCc2ccc(C(=O)O)cc2)co1
InChIInChI=1S/C15H16N2O4/c1-10-17-13(9-21-10)8-16-14(18)7-4-11-2-5-12(6-3-11)15(19)20/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMLRSCZNVABVAOG-UHFFFAOYSA-N
XLogP1.93
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110714644
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436
4-[3-[(5-methylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119180358
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
4-[3-[(5-ethylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119181228
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
4-[3-[(3-ethyl-1,2-oxazol-5-yl)methylamino]-3-oxopropyl]benzoic acid
CID 75469101
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
4-[3-(2-methylsulfanylpropylamino)-3-oxopropyl]benzoic acid
CID 120551020
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid (CID 146143246) is 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid is Cc1nc(CNC(=O)CCc2ccc(C(=O)O)cc2)co1.
What is the InChIKey of 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid?
The InChIKey is MLRSCZNVABVAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-17-13(9-21-10)8-16-14(18)7-4-11-2-5-12(6-3-11)15(19)20/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid?
4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methyl-1,3-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 146143246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).