4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one

C14H16N2O2 — CID 116941976

IUPAC4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one
SMILESNC(c1ccc2ncoc2c1)C1CCC(=O)CC1
InChIInChI=1S/C14H16N2O2/c15-14(9-1-4-11(17)5-2-9)10-3-6-12-13(7-10)18-8-16-12/h3,6-9,14H,1-2,4-5,15H2
InChIKeyUODVFHWHHHNEOV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.59
Rot. Bonds2

About 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one

4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one (PubChem CID 116941976) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one
PubChem CID116941976
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one
SMILESNC(c1ccc2ncoc2c1)C1CCC(=O)CC1
InChIInChI=1S/C14H16N2O2/c15-14(9-1-4-11(17)5-2-9)10-3-6-12-13(7-10)18-8-16-12/h3,6-9,14H,1-2,4-5,15H2
InChIKeyUODVFHWHHHNEOV-UHFFFAOYSA-N
XLogP2.59
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
6-[amino-(4-oxocyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941983
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
4-amino-4-(1,3-benzoxazol-6-yl)-3-methylbutanoic acid
CID 116938203
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
CID 116932975
1-(1,3-benzoxazol-6-yl)-1-hydroxy-3-methylbutan-2-one
CID 116836015

Frequently Asked Questions

What is the IUPAC name of 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one (CID 116941976) is 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one is NC(c1ccc2ncoc2c1)C1CCC(=O)CC1.
What is the InChIKey of 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one?
The InChIKey is UODVFHWHHHNEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(9-1-4-11(17)5-2-9)10-3-6-12-13(7-10)18-8-16-12/h3,6-9,14H,1-2,4-5,15H2.
What are the key properties of 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one?
4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 116941976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).