1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol

C11H13N3O2 — CID 121222906

IUPAC1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)no1
InChIInChI=1S/C11H13N3O2/c1-8(15)7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,12,13,14)
InChIKeyNRWJHMSUFCCPFO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.53
Rot. Bonds4

About 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol (PubChem CID 121222906) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
PubChem CID121222906
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(-c2ccccc2)no1
InChIInChI=1S/C11H13N3O2/c1-8(15)7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,12,13,14)
InChIKeyNRWJHMSUFCCPFO-UHFFFAOYSA-N
XLogP1.53
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 52531104
6-[1-hydroxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethyl]-1H-pyridin-2-one
CID 165424799
N-pentyl-3-phenyl-1,2,4-oxadiazol-5-amine
CID 122215897
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
ethyl 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]acetate
CID 4126918
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
3-(2,6-dimethyl-4-pyridinyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 107504477
N-(2-methylpropyl)-3-(3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62595787
N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
CID 114755467

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol (CID 121222906) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol is CC(O)CNc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The InChIKey is NRWJHMSUFCCPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,12,13,14).
What are the key properties of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol has a molecular weight of 219.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 121222906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).