1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

C15H13ClN2O — CID 82357642

IUPAC1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H13ClN2O/c1-17-9-10-5-6-14-13(7-10)18-15(19-14)11-3-2-4-12(16)8-11/h2-8,17H,9H2,1H3
InChIKeyQLSOWOBGNGAEAP-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.87
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine

1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (PubChem CID 82357642) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
PubChem CID82357642
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C15H13ClN2O/c1-17-9-10-5-6-14-13(7-10)18-15(19-14)11-3-2-4-12(16)8-11/h2-8,17H,9H2,1H3
InChIKeyQLSOWOBGNGAEAP-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
N-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357533
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357625
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3-chlorophenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3-benzoxazole
CID 91682488
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
CID 118913258
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylpropanamide
CID 46264529
N-methyl-1-(2-pyridin-4-yl-1,3-benzoxazol-6-yl)methanamine
CID 82357586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine (CID 82357642) is 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is CNCc1ccc2oc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
The InChIKey is QLSOWOBGNGAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-17-9-10-5-6-14-13(7-10)18-15(19-14)11-3-2-4-12(16)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine?
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine has a molecular weight of 272.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82357642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).