1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine

C12H14N2O — CID 105454455

IUPAC1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc3oncc3c2)CC1
InChIInChI=1S/C12H14N2O/c13-12(5-6-12)4-3-9-1-2-11-10(7-9)8-14-15-11/h1-2,7-8H,3-6,13H2
InChIKeyIGWXEONKYIRVLL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine

1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine (PubChem CID 105454455) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine
PubChem CID105454455
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc3oncc3c2)CC1
InChIInChI=1S/C12H14N2O/c13-12(5-6-12)4-3-9-1-2-11-10(7-9)8-14-15-11/h1-2,7-8H,3-6,13H2
InChIKeyIGWXEONKYIRVLL-UHFFFAOYSA-N
XLogP2.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine (CID 105454455) is 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine is NC1(CCc2ccc3oncc3c2)CC1.
What is the InChIKey of 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine?
The InChIKey is IGWXEONKYIRVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(5-6-12)4-3-9-1-2-11-10(7-9)8-14-15-11/h1-2,7-8H,3-6,13H2.
What are the key properties of 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine?
1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine has a molecular weight of 202.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzoxazol-5-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105454455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).