2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid

C15H18N2O3 — CID 61006913

IUPAC2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H18N2O3/c1-2-8-17(11-15(18)19)10-13-9-14(16-20-13)12-6-4-3-5-7-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyMAYJEWQDMHNXSI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds7

About 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid

2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid (PubChem CID 61006913) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
PubChem CID61006913
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C15H18N2O3/c1-2-8-17(11-15(18)19)10-13-9-14(16-20-13)12-6-4-3-5-7-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19)
InChIKeyMAYJEWQDMHNXSI-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 63065042
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
N-tert-butyl-2-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 51291858
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]butane-1-sulfonamide
CID 71996846
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
CID 60833551
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid (CID 61006913) is 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid?
The InChIKey is MAYJEWQDMHNXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-8-17(11-15(18)19)10-13-9-14(16-20-13)12-6-4-3-5-7-12/h3-7,9H,2,8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid?
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid is sourced from PubChem (CID 61006913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).