1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone

C14H11N3O2 — CID 116832958

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
SMILESCc1nc2ccc(C(=O)Cc3cccnn3)cc2o1
InChIInChI=1S/C14H11N3O2/c1-9-16-12-5-4-10(7-14(12)19-9)13(18)8-11-3-2-6-15-17-11/h2-7H,8H2,1H3
InChIKeyYVQSSNJMPGBRJC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone

1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone (PubChem CID 116832958) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
PubChem CID116832958
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
SMILESCc1nc2ccc(C(=O)Cc3cccnn3)cc2o1
InChIInChI=1S/C14H11N3O2/c1-9-16-12-5-4-10(7-14(12)19-9)13(18)8-11-3-2-6-15-17-11/h2-7H,8H2,1H3
InChIKeyYVQSSNJMPGBRJC-UHFFFAOYSA-N
XLogP2.35
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
4-(2-methyl-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 82495960
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
CID 116832942
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765217
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 116921658
2-(2-methyl-1,3-benzoxazole-6-carbonyl)butanenitrile
CID 116923733

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone (CID 116832958) is 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone is Cc1nc2ccc(C(=O)Cc3cccnn3)cc2o1.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone?
The InChIKey is YVQSSNJMPGBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-16-12-5-4-10(7-14(12)19-9)13(18)8-11-3-2-6-15-17-11/h2-7H,8H2,1H3.
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone?
1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone has a molecular weight of 253.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone is sourced from PubChem (CID 116832958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).