5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine

C13H17N3O — CID 80525035

IUPAC5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCCCC(C)c1onc(N)c1-c1ccncc1
InChIInChI=1S/C13H17N3O/c1-3-4-9(2)12-11(13(14)16-17-12)10-5-7-15-8-6-10/h5-9H,3-4H2,1-2H3,(H2,14,16)
InChIKeyBOVAQRXGLMIJFB-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.22
Rot. Bonds4

About 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine

5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525035) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525035
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCCCC(C)c1onc(N)c1-c1ccncc1
InChIInChI=1S/C13H17N3O/c1-3-4-9(2)12-11(13(14)16-17-12)10-5-7-15-8-6-10/h5-9H,3-4H2,1-2H3,(H2,14,16)
InChIKeyBOVAQRXGLMIJFB-UHFFFAOYSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-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-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(2,6-dichlorophenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66206420
4-(3-methoxyphenyl)-5-pentan-2-yl-1,2-oxazol-3-amine
CID 66200696
5-butan-2-yl-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198336
5-(3-methylbutyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525854
5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 82988157
4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
CID 80524936
4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
CID 82987497
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 82987307
4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66199519
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525035) is 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine is CCCC(C)c1onc(N)c1-c1ccncc1.
What is the InChIKey of 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is BOVAQRXGLMIJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-9(2)12-11(13(14)16-17-12)10-5-7-15-8-6-10/h5-9H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).