3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid

C19H18N2O4 — CID 166396444

IUPAC3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccccc1-c1ccc(CNCc2nocc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O4/c1-24-18-5-3-2-4-15(18)14-8-6-13(7-9-14)10-20-11-17-16(19(22)23)12-25-21-17/h2-9,12,20H,10-11H2,1H3,(H,22,23)
InChIKeyZHRCSOGQNYLMDA-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.34
Rot. Bonds7

About 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid

3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 166396444) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID166396444
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccccc1-c1ccc(CNCc2nocc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O4/c1-24-18-5-3-2-4-15(18)14-8-6-13(7-9-14)10-20-11-17-16(19(22)23)12-25-21-17/h2-9,12,20H,10-11H2,1H3,(H,22,23)
InChIKeyZHRCSOGQNYLMDA-UHFFFAOYSA-N
XLogP3.34
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
4-[[4-(2-methoxyphenyl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 119138820
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 110652564
benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46210451
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid (CID 166396444) is 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid is COc1ccccc1-c1ccc(CNCc2nocc2C(=O)O)cc1.
What is the InChIKey of 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZHRCSOGQNYLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-18-5-3-2-4-15(18)14-8-6-13(7-9-14)10-20-11-17-16(19(22)23)12-25-21-17/h2-9,12,20H,10-11H2,1H3,(H,22,23).
What are the key properties of 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid?
3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(2-methoxyphenyl)phenyl]methylamino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 166396444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).