2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

C15H19N3O3 — CID 79263003

IUPAC2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)18(10-13(19)20)9-12-16-14(21-17-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyHNMFTLYQDIXVKP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.42
Rot. Bonds5

About 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (PubChem CID 79263003) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
PubChem CID79263003
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)18(10-13(19)20)9-12-16-14(21-17-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyHNMFTLYQDIXVKP-UHFFFAOYSA-N
XLogP2.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62821769
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butanoic acid
CID 66138702
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62020853
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (CID 79263003) is 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The InChIKey is HNMFTLYQDIXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)18(10-13(19)20)9-12-16-14(21-17-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79263003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).