[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine

C11H11ClN2O — CID 115451004

IUPAC[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C11H11ClN2O/c12-7-1-2-9-8(5-7)14-10(15-9)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2
InChIKeyZQNNZJNZTYIECQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.47
Rot. Bonds2

About [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine

[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine (PubChem CID 115451004) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
PubChem CID115451004
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C11H11ClN2O/c12-7-1-2-9-8(5-7)14-10(15-9)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2
InChIKeyZQNNZJNZTYIECQ-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine (CID 115451004) is [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine is NCC1(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine?
The InChIKey is ZQNNZJNZTYIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-7-1-2-9-8(5-7)14-10(15-9)11(6-13)3-4-11/h1-2,5H,3-4,6,13H2.
What are the key properties of [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine?
[1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine has a molecular weight of 222.68 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-benzoxazol-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115451004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).