5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

C13H15N3O — CID 103167465

IUPAC5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1-c1cccnc1
InChIInChI=1S/C13H15N3O/c14-13-12(10-5-2-6-15-8-10)11(17-16-13)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H2,14,16)
InChIKeyGVBPOVOSYIKPQT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.66
Rot. Bonds3

About 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 103167465) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID103167465
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCC2)c1-c1cccnc1
InChIInChI=1S/C13H15N3O/c14-13-12(10-5-2-6-15-8-10)11(17-16-13)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H2,14,16)
InChIKeyGVBPOVOSYIKPQT-UHFFFAOYSA-N
XLogP2.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103167415
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 114459367
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
CID 66200452
5-(2-cyclopentylethyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525669
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
3-(cycloheptylmethyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 114458050
4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
CID 103167459
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 103167465) is 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(CC2CCC2)c1-c1cccnc1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is GVBPOVOSYIKPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-12(10-5-2-6-15-8-10)11(17-16-13)7-9-3-1-4-9/h2,5-6,8-9H,1,3-4,7H2,(H2,14,16).
What are the key properties of 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 103167465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).