2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid

C18H16N2O3 — CID 177380548

IUPAC2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3/c21-16(22)12-19-11-15-20-17(13-7-3-1-4-8-13)18(23-15)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,21,22)
InChIKeyJJEHJIBANLWWGL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.18
Rot. Bonds6

About 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid

2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid (PubChem CID 177380548) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
PubChem CID177380548
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O3/c21-16(22)12-19-11-15-20-17(13-7-3-1-4-8-13)18(23-15)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,21,22)
InChIKeyJJEHJIBANLWWGL-UHFFFAOYSA-N
XLogP3.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
CID 157423218
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 175600148
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
2-(isocyanomethyl)-4,5-diphenyl-1,3-oxazole
CID 15237344
2-[(Z)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propylideneamino]oxyacetic acid
CID 87486653

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid (CID 177380548) is 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid is O=C(O)CNCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The InChIKey is JJEHJIBANLWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-16(22)12-19-11-15-20-17(13-7-3-1-4-8-13)18(23-15)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,21,22).
What are the key properties of 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid?
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid is sourced from PubChem (CID 177380548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).