2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine

C11H13ClN4O — CID 170305579

IUPAC2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
SMILESCc1noc(-c2cnc(Cl)cc2NC(C)C)n1
InChIInChI=1S/C11H13ClN4O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H,13,14)
InChIKeyFJGGNFLSRJAMPX-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine

2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine (PubChem CID 170305579) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
PubChem CID170305579
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
SMILESCc1noc(-c2cnc(Cl)cc2NC(C)C)n1
InChIInChI=1S/C11H13ClN4O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H,13,14)
InChIKeyFJGGNFLSRJAMPX-UHFFFAOYSA-N
XLogP2.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine 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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
CID 170305659
2-N-benzyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
CID 170305584
2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 134342695
2-chloro-5-(4,5-dimethyl-1H-imidazol-2-yl)-N-propan-2-ylpyridin-4-amine
CID 171482381
carbon dioxide;2-chloro-5-(4-ethyl-1,3-oxazol-2-yl)-N-propan-2-ylpyridin-4-amine
CID 158890623
tert-butyl N-[2-[[2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 140663324
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 170993654
2-chloro-N-propan-2-yl-5-(1,3,4-thiadiazol-2-yl)pyridin-4-amine
CID 146382471
N-(1,1-difluoropropan-2-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 102868329
ethyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1H-pyrrole-3-carboxylate
CID 141373422
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
ethyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 141373410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine (CID 170305579) is 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine is Cc1noc(-c2cnc(Cl)cc2NC(C)C)n1.
What is the InChIKey of 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is FJGGNFLSRJAMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-6(2)14-9-4-10(12)13-5-8(9)11-15-7(3)16-17-11/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine?
2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine has a molecular weight of 252.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 170305579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).