1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine

C14H16N2O — CID 117329080

IUPAC1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(-c3ncco3)cc2)CCCC1
InChIInChI=1S/C14H16N2O/c15-14(7-1-2-8-14)12-5-3-11(4-6-12)13-16-9-10-17-13/h3-6,9-10H,1-2,7-8,15H2
InChIKeyGLXNCZSINXPGRL-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.07
Rot. Bonds2

About 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine

1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine (PubChem CID 117329080) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine
PubChem CID117329080
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine
SMILESNC1(c2ccc(-c3ncco3)cc2)CCCC1
InChIInChI=1S/C14H16N2O/c15-14(7-1-2-8-14)12-5-3-11(4-6-12)13-16-9-10-17-13/h3-6,9-10H,1-2,7-8,15H2
InChIKeyGLXNCZSINXPGRL-UHFFFAOYSA-N
XLogP3.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine (CID 117329080) is 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine is NC1(c2ccc(-c3ncco3)cc2)CCCC1.
What is the InChIKey of 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine?
The InChIKey is GLXNCZSINXPGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-14(7-1-2-8-14)12-5-3-11(4-6-12)13-16-9-10-17-13/h3-6,9-10H,1-2,7-8,15H2.
What are the key properties of 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine?
1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine has a molecular weight of 228.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-oxazol-2-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117329080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).