1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

C18H25N3O4 — CID 110012412

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESCN(CC1CCCCC1O)C(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H25N3O4/c1-20(12-13-6-2-4-8-15(13)22)17(23)19-10-11-21-14-7-3-5-9-16(14)25-18(21)24/h3,5,7,9,13,15,22H,2,4,6,8,10-12H2,1H3,(H,19,23)
InChIKeyHEDYKTALUMYJBM-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.79
Rot. Bonds5

About 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (PubChem CID 110012412) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
PubChem CID110012412
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
SMILESCN(CC1CCCCC1O)C(=O)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H25N3O4/c1-20(12-13-6-2-4-8-15(13)22)17(23)19-10-11-21-14-7-3-5-9-16(14)25-18(21)24/h3,5,7,9,13,15,22H,2,4,6,8,10-12H2,1H3,(H,19,23)
InChIKeyHEDYKTALUMYJBM-UHFFFAOYSA-N
XLogP1.79
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea with MolForge

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Related Compounds

2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001120
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 110003599
1-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122001108
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104957458
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 104927452
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
CID 55087544
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
3-[2-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 129428379
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea (CID 110012412) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is CN(CC1CCCCC1O)C(=O)NCCn1c(=O)oc2ccccc21.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
The InChIKey is HEDYKTALUMYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-20(12-13-6-2-4-8-15(13)22)17(23)19-10-11-21-14-7-3-5-9-16(14)25-18(21)24/h3,5,7,9,13,15,22H,2,4,6,8,10-12H2,1H3,(H,19,23).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea has a molecular weight of 347.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea is sourced from PubChem (CID 110012412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).