1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine

C13H14N2O — CID 117305599

IUPAC1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2-c2ncco2)CC1
InChIInChI=1S/C13H14N2O/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2
InChIKeyUMBQATCGGJONLZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.38
Rot. Bonds3

About 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine

1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117305599) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117305599
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccccc2-c2ncco2)CC1
InChIInChI=1S/C13H14N2O/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2
InChIKeyUMBQATCGGJONLZ-UHFFFAOYSA-N
XLogP2.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine (CID 117305599) is 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccccc2-c2ncco2)CC1.
What is the InChIKey of 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is UMBQATCGGJONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(5-6-13)9-10-3-1-2-4-11(10)12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2.
What are the key properties of 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 214.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117305599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).