cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone

C12H11NO2 — CID 82491485

IUPACcyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3CC3)cc2o1
InChIInChI=1S/C12H11NO2/c1-7-13-10-5-4-9(6-11(10)15-7)12(14)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyWHVXRKQGEOUQSM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.73
Rot. Bonds2

About cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone

cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone (PubChem CID 82491485) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
PubChem CID82491485
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namecyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3CC3)cc2o1
InChIInChI=1S/C12H11NO2/c1-7-13-10-5-4-9(6-11(10)15-7)12(14)8-2-3-8/h4-6,8H,2-3H2,1H3
InChIKeyWHVXRKQGEOUQSM-UHFFFAOYSA-N
XLogP2.73
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 171941761
(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
CID 116919555
cyclopropyl-[4-(2-methyl-1,3-benzoxazole-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806533
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046
9H-fluoren-9-ylmethyl 3-(2-methyl-1,3-benzoxazole-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941759
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-1,3-benzoxazole-6-carboxamide
CID 110765232
4-(2-methyl-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 82495960
N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 115272850
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone (CID 82491485) is cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone is Cc1nc2ccc(C(=O)C3CC3)cc2o1.
What is the InChIKey of cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is WHVXRKQGEOUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-13-10-5-4-9(6-11(10)15-7)12(14)8-2-3-8/h4-6,8H,2-3H2,1H3.
What are the key properties of cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone?
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 201.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 82491485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).