1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea

C16H27N3O3 — CID 71973668

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)NCCCc1c(C)noc1C
InChIInChI=1S/C16H27N3O3/c1-11-13(12(2)22-19-11)7-6-10-17-16(20)18-14-8-4-5-9-15(14)21-3/h14-15H,4-10H2,1-3H3,(H2,17,18,20)
InChIKeyIIGDWLZIIVKZJN-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.48
Rot. Bonds6

About 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea (PubChem CID 71973668) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
PubChem CID71973668
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)NCCCc1c(C)noc1C
InChIInChI=1S/C16H27N3O3/c1-11-13(12(2)22-19-11)7-6-10-17-16(20)18-14-8-4-5-9-15(14)21-3/h14-15H,4-10H2,1-3H3,(H2,17,18,20)
InChIKeyIIGDWLZIIVKZJN-UHFFFAOYSA-N
XLogP2.48
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]urea
CID 127599058
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxolan-3-yl)acetamide
CID 119071118
N-[2-(aminomethyl)cyclohexyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 119610269
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-phenoxycycloheptyl]acetamide
CID 110126070

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea (CID 71973668) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea is COC1CCCCC1NC(=O)NCCCc1c(C)noc1C.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea?
The InChIKey is IIGDWLZIIVKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11-13(12(2)22-19-11)7-6-10-17-16(20)18-14-8-4-5-9-15(14)21-3/h14-15H,4-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea has a molecular weight of 309.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea is sourced from PubChem (CID 71973668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).