2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine

C10H7ClN4O — CID 79890978

IUPAC2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-n3cc(Cl)cn3)nc2c1
InChIInChI=1S/C10H7ClN4O/c11-6-4-13-15(5-6)10-14-8-3-7(12)1-2-9(8)16-10/h1-5H,12H2
InChIKeyONJGQZUQYFILTP-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.25
Rot. Bonds1

About 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine

2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine (PubChem CID 79890978) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
PubChem CID79890978
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-n3cc(Cl)cn3)nc2c1
InChIInChI=1S/C10H7ClN4O/c11-6-4-13-15(5-6)10-14-8-3-7(12)1-2-9(8)16-10/h1-5H,12H2
InChIKeyONJGQZUQYFILTP-UHFFFAOYSA-N
XLogP2.25
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylpyrazol-1-yl)-1,3-benzoxazol-6-amine
CID 79883039
1-(1,3-benzoxazol-2-yl)pyrazol-4-amine
CID 61174865
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(3,5-diethylpyrazol-1-yl)-1,3-benzoxazol-5-amine
CID 82692189
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-5-amine
CID 79891210
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890059
5-amino-2-(4-chloropyrazol-1-yl)benzamide
CID 61311509
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
2-(2,5-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890523

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine (CID 79890978) is 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-n3cc(Cl)cn3)nc2c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine?
The InChIKey is ONJGQZUQYFILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-6-4-13-15(5-6)10-14-8-3-7(12)1-2-9(8)16-10/h1-5H,12H2.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine?
2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine has a molecular weight of 234.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79890978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).