2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid

C15H16N2O4 — CID 115923697

IUPAC2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
SMILESCc1cc(CN(C)C(=O)Cc2ccccc2C(=O)O)no1
InChIInChI=1S/C15H16N2O4/c1-10-7-12(16-21-10)9-17(2)14(18)8-11-5-3-4-6-13(11)15(19)20/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyPGLZYZNGHCYCNR-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.88
Rot. Bonds5

About 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid

2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid (PubChem CID 115923697) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
PubChem CID115923697
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
SMILESCc1cc(CN(C)C(=O)Cc2ccccc2C(=O)O)no1
InChIInChI=1S/C15H16N2O4/c1-10-7-12(16-21-10)9-17(2)14(18)8-11-5-3-4-6-13(11)15(19)20/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKeyPGLZYZNGHCYCNR-UHFFFAOYSA-N
XLogP1.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
2-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]benzoic acid
CID 115923742
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
2-[2-[2-(dimethylamino)ethyl-methylamino]-2-oxoethyl]benzoic acid
CID 104601568
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86984764
2-(4-benzylmorpholin-2-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 91842855
6-bromo-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 103875136
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid (CID 115923697) is 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid is Cc1cc(CN(C)C(=O)Cc2ccccc2C(=O)O)no1.
What is the InChIKey of 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is PGLZYZNGHCYCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-7-12(16-21-10)9-17(2)14(18)8-11-5-3-4-6-13(11)15(19)20/h3-7H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid?
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).