3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine

C16H16N2O — CID 65179310

IUPAC3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1ncc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H16N2O/c17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11H,3,6,9,17H2
InChIKeyJFHVECWJCXQWDJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.39
Rot. Bonds4

About 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine

3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine (PubChem CID 65179310) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
PubChem CID65179310
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
SMILESNCCCc1ncc(-c2ccc3ccccc3c2)o1
InChIInChI=1S/C16H16N2O/c17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11H,3,6,9,17H2
InChIKeyJFHVECWJCXQWDJ-UHFFFAOYSA-N
XLogP3.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115354580
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
3-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178544
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
3-[5-(furan-3-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178542
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251

Frequently Asked Questions

What is the IUPAC name of 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine (CID 65179310) is 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine is NCCCc1ncc(-c2ccc3ccccc3c2)o1.
What is the InChIKey of 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is JFHVECWJCXQWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-9-3-6-16-18-11-15(19-16)14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10-11H,3,6,9,17H2.
What are the key properties of 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine?
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 65179310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).