[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine

C14H11ClN2O — CID 81433640

IUPAC[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)18-14(17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2
InChIKeyAOSHMIMKZSTBGE-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.61
Rot. Bonds2

About [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine

[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine (PubChem CID 81433640) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
PubChem CID81433640
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nc3cccc(Cl)c3o2)c1
InChIInChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)18-14(17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2
InChIKeyAOSHMIMKZSTBGE-UHFFFAOYSA-N
XLogP3.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 82719724
4-(7-benzyl-1,3-benzoxazol-2-yl)-2-chloroaniline
CID 50883313
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 81433835
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
4-(7-benzyl-1,3-benzoxazol-2-yl)-2,6-dichloroaniline
CID 50883317
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802
7-chloro-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 81421258
3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
CID 81434294
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709

Frequently Asked Questions

What is the IUPAC name of [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine (CID 81433640) is [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine is NCc1cccc(-c2nc3cccc(Cl)c3o2)c1.
What is the InChIKey of [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine?
The InChIKey is AOSHMIMKZSTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)18-14(17-12)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2.
What are the key properties of [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine?
[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine has a molecular weight of 258.71 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 81433640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).