6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine

C12H8ClN3O — CID 15870137

IUPAC6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine
SMILESClc1ccc2c(Nc3ccncc3)noc2c1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)17-16-12(10)15-9-3-5-14-6-4-9/h1-7H,(H,14,15,16)
InChIKeySVEIGHOTYPYZQS-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.62
Rot. Bonds2

About 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine

6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine (PubChem CID 15870137) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine
PubChem CID15870137
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine
SMILESClc1ccc2c(Nc3ccncc3)noc2c1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)17-16-12(10)15-9-3-5-14-6-4-9/h1-7H,(H,14,15,16)
InChIKeySVEIGHOTYPYZQS-UHFFFAOYSA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-pyridin-4-ylpropyl)-1,2-benzoxazol-3-amine
CID 152669842
5,6-difluoro-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 163673542
6-chloro-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine
CID 126566492
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 67408394
6-chloro-N-(2-chloropyrimidin-5-yl)isoquinolin-1-amine
CID 171404424
(Z)-but-2-enedioic acid;6-chloro-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine
CID 70264594
3-[4-(bromomethyl)phenyl]-6-chloro-1,2-benzoxazole
CID 18357626
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
6-bromo-N-methyl-1,2-benzoxazol-3-amine
CID 84690903
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine;hydrochloride
CID 22741956
3,6-dichloro-2,1-benzoxazole
CID 67983088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine (CID 15870137) is 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine is Clc1ccc2c(Nc3ccncc3)noc2c1.
What is the InChIKey of 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine?
The InChIKey is SVEIGHOTYPYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)17-16-12(10)15-9-3-5-14-6-4-9/h1-7H,(H,14,15,16).
What are the key properties of 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine?
6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine has a molecular weight of 245.67 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 15870137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).