3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine

C15H15N3O — CID 82298467

IUPAC3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESNCCCc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C15H15N3O/c16-7-1-2-11-3-4-14-13(10-11)18-15(19-14)12-5-8-17-9-6-12/h3-6,8-10H,1-2,7,16H2
InChIKeyOBHZSVPBCSGBPM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine

3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine (PubChem CID 82298467) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
PubChem CID82298467
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
SMILESNCCCc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C15H15N3O/c16-7-1-2-11-3-4-14-13(10-11)18-15(19-14)12-5-8-17-9-6-12/h3-6,8-10H,1-2,7,16H2
InChIKeyOBHZSVPBCSGBPM-UHFFFAOYSA-N
XLogP2.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
N-[2-(4-chlorophenyl)ethyl]-2-pyridin-4-yl-1,3-benzoxazole-5-carboxamide
CID 134799158
2-(4-decoxyphenyl)-5-octyl-1,3-benzoxazole
CID 19021149
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 882263
5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
CID 86651046
azanium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate
CID 21149529

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine (CID 82298467) is 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine is NCCCc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine?
The InChIKey is OBHZSVPBCSGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-7-1-2-11-3-4-14-13(10-11)18-15(19-14)12-5-8-17-9-6-12/h3-6,8-10H,1-2,7,16H2.
What are the key properties of 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine?
3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine is sourced from PubChem (CID 82298467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).