N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine

C13H14ClN3O — CID 63331377

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
SMILESClc1cccc(NC2CCOC2)c1-n1ccnc1
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12(16-10-4-7-18-8-10)13(11)17-6-5-15-9-17/h1-3,5-6,9-10,16H,4,7-8H2
InChIKeySQLJQLBVURIBCY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.73
Rot. Bonds3

About N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine

N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine (PubChem CID 63331377) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
PubChem CID63331377
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
SMILESClc1cccc(NC2CCOC2)c1-n1ccnc1
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12(16-10-4-7-18-8-10)13(11)17-6-5-15-9-17/h1-3,5-6,9-10,16H,4,7-8H2
InChIKeySQLJQLBVURIBCY-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine (CID 63331377) is N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine is Clc1cccc(NC2CCOC2)c1-n1ccnc1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine?
The InChIKey is SQLJQLBVURIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-2-1-3-12(16-10-4-7-18-8-10)13(11)17-6-5-15-9-17/h1-3,5-6,9-10,16H,4,7-8H2.
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine?
N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine has a molecular weight of 263.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine is sourced from PubChem (CID 63331377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).