5-chloro-1,3-benzoxazol-2-amine

C7H5ClN2O — CID 6103

💊View drug profile → zoxazolamine
IUPAC5-chloro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyYGCODSQDUUUKIV-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.06
Rot. Bonds

About 5-chloro-1,3-benzoxazol-2-amine

5-chloro-1,3-benzoxazol-2-amine (PubChem CID 6103) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 5-chloro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-1,3-benzoxazol-2-amine
PubChem CID6103
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name5-chloro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyYGCODSQDUUUKIV-UHFFFAOYSA-N
XLogP2.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chlorobenzoxazole
CID 11986
5-Bromo-1,3-benzoxazol-2-amine
CID 46380
2-Aminobenzoxazole
CID 20707
5-Chloro-2-methylbenzoxazole
CID 29510
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-chlorophenyl)-1,3-benzoxazol-2-amine
CID 714839
5-Methoxy-1,3-benzoxazol-2-amine
CID 46387
5-Chlorobenzoxazole
CID 28398
Benzoxazole, 2-amino-5-fluoro-
CID 15516
Benzoxazole, 2-amino-6-chloro-
CID 40237
N-methyl-1,3-benzoxazol-2-amine
CID 590605

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-1,3-benzoxazol-2-amine (CID 6103) is 5-chloro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-1,3-benzoxazol-2-amine is Nc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-1,3-benzoxazol-2-amine?
The InChIKey is YGCODSQDUUUKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10).
What are the key properties of 5-chloro-1,3-benzoxazol-2-amine?
5-chloro-1,3-benzoxazol-2-amine has a molecular weight of 168.58 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 6103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).