2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid

C14H17N3O3 — CID 62108837

IUPAC2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCC(C)c1noc(CNC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O3/c1-9(2)13-16-11(20-17-13)8-15-12(14(18)19)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H,18,19)
InChIKeyUTJRDPAJVHZBBV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.11
Rot. Bonds6

About 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid

2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (PubChem CID 62108837) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
PubChem CID62108837
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCC(C)c1noc(CNC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O3/c1-9(2)13-16-11(20-17-13)8-15-12(14(18)19)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H,18,19)
InChIKeyUTJRDPAJVHZBBV-UHFFFAOYSA-N
XLogP2.11
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]ethanone
CID 52513480
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
2-hydroxy-2-phenyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 111538352
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid
CID 65265449
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
(1S)-1-(2,6-difluorophenyl)-2,2,2-trifluoro-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 124616782

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (CID 62108837) is 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is CC(C)c1noc(CNC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The InChIKey is UTJRDPAJVHZBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)13-16-11(20-17-13)8-15-12(14(18)19)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 62108837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).