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

C15H18N2O3 — CID 60840315

IUPAC2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H18N2O3/c1-11(2)17(10-15(18)19)9-13-8-14(20-16-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyXMXBATRVSJMOHI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds6

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

2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid (PubChem CID 60840315) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
PubChem CID60840315
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H18N2O3/c1-11(2)17(10-15(18)19)9-13-8-14(20-16-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyXMXBATRVSJMOHI-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
CID 43656694
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-phenyl-1-propan-2-ylurea
CID 42822588
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetic acid
CID 60839308

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid (CID 60840315) is 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is XMXBATRVSJMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(2)17(10-15(18)19)9-13-8-14(20-16-13)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid?
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60840315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).