1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea

C18H23N3O2 — CID 51122102

IUPAC1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea
SMILESCc1cc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C18H23N3O2/c1-13-12-17(20-23-13)19-18(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,19,20,22)
InChIKeyQWQGGPPBEZKORD-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea

1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea (PubChem CID 51122102) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea
PubChem CID51122102
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea
SMILESCc1cc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)no1
InChIInChI=1S/C18H23N3O2/c1-13-12-17(20-23-13)19-18(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,19,20,22)
InChIKeyQWQGGPPBEZKORD-UHFFFAOYSA-N
XLogP4.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-phenylcyclobutane-1-carboxamide
CID 154775274
1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 75363597
2-[benzenesulfonyl(cyclopropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813856
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
(6R)-4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3,6-diphenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 25414809
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 42786826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea (CID 51122102) is 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea is Cc1cc(NC(=O)N(C)C2CCC(c3ccccc3)CC2)no1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea?
The InChIKey is QWQGGPPBEZKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-12-17(20-23-13)19-18(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,19,20,22).
What are the key properties of 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea?
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea has a molecular weight of 313.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 51122102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).