N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine

C17H15ClN2O — CID 43686403

IUPACN-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESClc1ccccc1CNc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H15ClN2O/c18-14-4-2-1-3-12(14)10-19-13-7-8-16-15(9-13)20-17(21-16)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyAQZFJUVSBZAWIV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.97
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine

N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine (PubChem CID 43686403) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
PubChem CID43686403
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
SMILESClc1ccccc1CNc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H15ClN2O/c18-14-4-2-1-3-12(14)10-19-13-7-8-16-15(9-13)20-17(21-16)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2
InChIKeyAQZFJUVSBZAWIV-UHFFFAOYSA-N
XLogP4.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine (CID 43686403) is N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine is Clc1ccccc1CNc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine?
The InChIKey is AQZFJUVSBZAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-4-2-1-3-12(14)10-19-13-7-8-16-15(9-13)20-17(21-16)11-5-6-11/h1-4,7-9,11,19H,5-6,10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine?
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine has a molecular weight of 298.77 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 43686403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).