3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one

C15H20N2O2 — CID 541911

IUPAC3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
SMILESCN(Cn1c(=O)oc2ccccc21)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-16(12-7-3-2-4-8-12)11-17-13-9-5-6-10-14(13)19-15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNRJCACVGUBPQBW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.82
Rot. Bonds3

About 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one

3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one (PubChem CID 541911) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
PubChem CID541911
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
SMILESCN(Cn1c(=O)oc2ccccc21)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-16(12-7-3-2-4-8-12)11-17-13-9-5-6-10-14(13)19-15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyNRJCACVGUBPQBW-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester
CID 28445
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)-
CID 27842
3-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2(3H)-one
CID 2995774
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
2-Benzoxazolinone, 3-allyl-
CID 25999
3-Acetyl-2(3H)-benzoxazolone
CID 32752
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one (CID 541911) is 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one is CN(Cn1c(=O)oc2ccccc21)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is NRJCACVGUBPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16(12-7-3-2-4-8-12)11-17-13-9-5-6-10-14(13)19-15(17)18/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 541911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).