5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine

C11H10N4O — CID 64528494

IUPAC5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc2nc(-c3cc(N)n[nH]3)oc2c1
InChIInChI=1S/C11H10N4O/c1-6-2-3-7-9(4-6)16-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyFWOMIRPNHNOWTH-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.11
Rot. Bonds1

About 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine

5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine (PubChem CID 64528494) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
PubChem CID64528494
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc2nc(-c3cc(N)n[nH]3)oc2c1
InChIInChI=1S/C11H10N4O/c1-6-2-3-7-9(4-6)16-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15)
InChIKeyFWOMIRPNHNOWTH-UHFFFAOYSA-N
XLogP2.11
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
5-(5-methylsulfonyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine
CID 81434358
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
4-amino-2-methyl-6-(6-methyl-1,3-benzoxazol-2-yl)phenol
CID 2978413
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-isoquinolin-3-yl-6-methyl-1,3-benzoxazole
CID 141453373
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
6-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-benzoxazole
CID 43436668
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
CID 65199108

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine (CID 64528494) is 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine is Cc1ccc2nc(-c3cc(N)n[nH]3)oc2c1.
What is the InChIKey of 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is FWOMIRPNHNOWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-6-2-3-7-9(4-6)16-11(13-7)8-5-10(12)15-14-8/h2-5H,1H3,(H3,12,14,15).
What are the key properties of 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine?
5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 214.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 64528494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).