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

C14H16N2O3 — CID 54885490

IUPAC4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
SMILESCc1cc(CN(C)Cc2ccc(C(=O)O)cc2)on1
InChIInChI=1S/C14H16N2O3/c1-10-7-13(19-15-10)9-16(2)8-11-3-5-12(6-4-11)14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyOBMUPFKVBZJLGD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.31
Rot. Bonds5

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

4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid (PubChem CID 54885490) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
PubChem CID54885490
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
SMILESCc1cc(CN(C)Cc2ccc(C(=O)O)cc2)on1
InChIInChI=1S/C14H16N2O3/c1-10-7-13(19-15-10)9-16(2)8-11-3-5-12(6-4-11)14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyOBMUPFKVBZJLGD-UHFFFAOYSA-N
XLogP2.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-[[methyl-[(5-methyl-3-pyridinyl)methyl]amino]methyl]benzoic acid
CID 102877423
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]benzoic acid
CID 61481680
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[[(2-hydroxy-5-methylphenyl)methyl-methylamino]methyl]benzoic acid
CID 65056262
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
CID 117038958
4-[[methyl(3-methylbut-2-enyl)amino]methyl]benzoic acid
CID 54886019
2-[4-chloro-2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]acetic acid
CID 77096724
2-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-4-phenylphenol
CID 42330263

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid (CID 54885490) is 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid is Cc1cc(CN(C)Cc2ccc(C(=O)O)cc2)on1.
What is the InChIKey of 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid?
The InChIKey is OBMUPFKVBZJLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-7-13(19-15-10)9-16(2)8-11-3-5-12(6-4-11)14(17)18/h3-7H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid?
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid is sourced from PubChem (CID 54885490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).