2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid

C15H19N3O3 — CID 62819926

IUPAC2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1noc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(19)20)10-12-16-13(21-17-12)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,19,20)
InChIKeyZNNLJUZRONFDHE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.42
Rot. Bonds6

About 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 62819926) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID62819926
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1noc(-c2ccccc2)n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(19)20)10-12-16-13(21-17-12)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,19,20)
InChIKeyZNNLJUZRONFDHE-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62821769
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one
CID 166941890

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid (CID 62819926) is 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1noc(-c2ccccc2)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is ZNNLJUZRONFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(15(2,3)14(19)20)10-12-16-13(21-17-12)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).