3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine

C12H20N2O — CID 65178549

IUPAC3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCCC2)o1
InChIInChI=1S/C12H20N2O/c13-7-3-6-12-14-9-11(15-12)8-10-4-1-2-5-10/h9-10H,1-8,13H2
InChIKeyMNDIKFQUTOVLIF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.30
Rot. Bonds5

About 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178549) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178549
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCCC2)o1
InChIInChI=1S/C12H20N2O/c13-7-3-6-12-14-9-11(15-12)8-10-4-1-2-5-10/h9-10H,1-8,13H2
InChIKeyMNDIKFQUTOVLIF-UHFFFAOYSA-N
XLogP2.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178549) is 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(CC2CCCC2)o1.
What is the InChIKey of 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is MNDIKFQUTOVLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-3-6-12-14-9-11(15-12)8-10-4-1-2-5-10/h9-10H,1-8,13H2.
What are the key properties of 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).