3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

C20H29N3O2 — CID 42790346

IUPAC3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCCN(CC1CC(c2ccc(C)cc2)=NO1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-3-23(20(24)21-17-7-5-4-6-8-17)14-18-13-19(22-25-18)16-11-9-15(2)10-12-16/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,21,24)
InChIKeyKZZDDSVEOKBNNW-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.85
Rot. Bonds5

About 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 42790346) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
PubChem CID42790346
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCCN(CC1CC(c2ccc(C)cc2)=NO1)C(=O)NC1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-3-23(20(24)21-17-7-5-4-6-8-17)14-18-13-19(22-25-18)16-11-9-15(2)10-12-16/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,21,24)
InChIKeyKZZDDSVEOKBNNW-UHFFFAOYSA-N
XLogP3.85
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-methyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790421
3-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-prop-2-enylurea
CID 42790343
N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
CID 7295882
N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclopropanecarboxamide
CID 24715343
ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
CID 42790278
1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
N-[(2-fluorophenyl)methyl]-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclopentanecarboxamide
CID 93064418
3-tert-butyl-1-[(3-methoxyphenyl)methyl]-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790364
N-ethyl-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzenesulfonamide
CID 7231252
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
N-[(3-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42815757
N-[(2-fluorophenyl)methyl]-2-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
CID 42789915

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 42790346) is 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is CCN(CC1CC(c2ccc(C)cc2)=NO1)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is KZZDDSVEOKBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-23(20(24)21-17-7-5-4-6-8-17)14-18-13-19(22-25-18)16-11-9-15(2)10-12-16/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,21,24).
What are the key properties of 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 343.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 42790346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).