[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone

C14H16N2O2 — CID 116921658

IUPAC[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3(CN)CCC3)cc2o1
InChIInChI=1S/C14H16N2O2/c1-9-16-11-4-3-10(7-12(11)18-9)13(17)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyFRJJKWITOXHJFT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone

[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone (PubChem CID 116921658) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
PubChem CID116921658
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone
SMILESCc1nc2ccc(C(=O)C3(CN)CCC3)cc2o1
InChIInChI=1S/C14H16N2O2/c1-9-16-11-4-3-10(7-12(11)18-9)13(17)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyFRJJKWITOXHJFT-UHFFFAOYSA-N
XLogP2.45
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
4-(2-methyl-1,3-benzoxazol-6-yl)-4-oxobutanoic acid
CID 82495960
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone (CID 116921658) is [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone is Cc1nc2ccc(C(=O)C3(CN)CCC3)cc2o1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is FRJJKWITOXHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-16-11-4-3-10(7-12(11)18-9)13(17)14(8-15)5-2-6-14/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2-methyl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 116921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).