N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine

C8H12N2O — CID 82467812

IUPACN-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
SMILESc1coc(CCNC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-2-7(1)9-4-3-8-10-5-6-11-8/h5-7,9H,1-4H2
InChIKeyUDZYOWKIWCGDGQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds4

About N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine

N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine (PubChem CID 82467812) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
PubChem CID82467812
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine
SMILESc1coc(CCNC2CC2)n1
InChIInChI=1S/C8H12N2O/c1-2-7(1)9-4-3-8-10-5-6-11-8/h5-7,9H,1-4H2
InChIKeyUDZYOWKIWCGDGQ-UHFFFAOYSA-N
XLogP0.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine (CID 82467812) is N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine is c1coc(CCNC2CC2)n1.
What is the InChIKey of N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is UDZYOWKIWCGDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7(1)9-4-3-8-10-5-6-11-8/h5-7,9H,1-4H2.
What are the key properties of N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine?
N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 152.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 82467812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).