Benzoxazole, 2-amino-6-chloro-

C7H5ClN2O — CID 40237

IUPAC6-chloro-1,3-benzoxazol-2-amine
SMILESC1=CC2=C(C=C1Cl)OC(=N2)N
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyQDMXVLGVKMTTIT-UHFFFAOYSA-N
MW168.58 g/mol
LogP2.50
Rot. Bonds

About Benzoxazole, 2-amino-6-chloro-

Benzoxazole, 2-amino-6-chloro- (PubChem CID 40237) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 6-chloro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameBenzoxazole, 2-amino-6-chloro-
PubChem CID40237
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name6-chloro-1,3-benzoxazol-2-amine
SMILESC1=CC2=C(C=C1Cl)OC(=N2)N
InChIInChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyQDMXVLGVKMTTIT-UHFFFAOYSA-N
XLogP2.50
TPSA52.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zoxazolamine
CID 6103
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
Benzoxazole, 2-amino-5-fluoro-
CID 15516
N-methyl-1,3-benzoxazol-2-amine
CID 590605
5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine
CID 49843567
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210

Frequently Asked Questions

What is the IUPAC name of Benzoxazole, 2-amino-6-chloro-?
The IUPAC name of Benzoxazole, 2-amino-6-chloro- (CID 40237) is 6-chloro-1,3-benzoxazol-2-amine.
What is the SMILES notation for Benzoxazole, 2-amino-6-chloro-?
The canonical SMILES for Benzoxazole, 2-amino-6-chloro- is C1=CC2=C(C=C1Cl)OC(=N2)N.
What is the InChIKey of Benzoxazole, 2-amino-6-chloro-?
The InChIKey is QDMXVLGVKMTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of Benzoxazole, 2-amino-6-chloro-?
Benzoxazole, 2-amino-6-chloro- has a molecular weight of 168.58 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzoxazole, 2-amino-6-chloro- is sourced from PubChem (CID 40237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).