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

C8H7ClN2O — CID 105440337

IUPAC(5-chloro-2,1-benzoxazol-3-yl)methanamine
SMILESNCc1onc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4,10H2
InChIKeyNOYFABFULVVTOP-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.94
Rot. Bonds1

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

(5-chloro-2,1-benzoxazol-3-yl)methanamine (PubChem CID 105440337) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is (5-chloro-2,1-benzoxazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,1-benzoxazol-3-yl)methanamine
PubChem CID105440337
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name(5-chloro-2,1-benzoxazol-3-yl)methanamine
SMILESNCc1onc2ccc(Cl)cc12
InChIInChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4,10H2
InChIKeyNOYFABFULVVTOP-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dichloroquinazolin-2-yl)methanamine
CID 105485144
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
3,6-dichloro-2,1-benzoxazole
CID 67983088
2-(5-chloro-2H-indazol-3-yl)ethanamine
CID 55254326
4-(aminomethyl)-6-chloro-3H-quinazolin-2-one
CID 105463660
[3-(4-chlorophenyl)-4-ethyl-1,2-oxazol-5-yl]methanamine
CID 83850903
2-[(5-chloro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine;hydrochloride
CID 18696160
5-chloro-3-(3-chloro-4-methoxyphenyl)-2,1-benzoxazole
CID 15592237
[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine
CID 54031245
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
(3-cyclopentyl-2,1-benzoxazol-5-yl)methanamine
CID 105470000
(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
CID 105488359

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,1-benzoxazol-3-yl)methanamine?
The IUPAC name of (5-chloro-2,1-benzoxazol-3-yl)methanamine (CID 105440337) is (5-chloro-2,1-benzoxazol-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2,1-benzoxazol-3-yl)methanamine?
The canonical SMILES for (5-chloro-2,1-benzoxazol-3-yl)methanamine is NCc1onc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-2,1-benzoxazol-3-yl)methanamine?
The InChIKey is NOYFABFULVVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,4,10H2.
What are the key properties of (5-chloro-2,1-benzoxazol-3-yl)methanamine?
(5-chloro-2,1-benzoxazol-3-yl)methanamine has a molecular weight of 182.61 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,1-benzoxazol-3-yl)methanamine is sourced from PubChem (CID 105440337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).