1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C18H24N4O3 — CID 71792017

IUPAC1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(c3nc(C)no3)CCCCC2)c(C)c1
InChIInChI=1S/C18H24N4O3/c1-12-11-14(24-3)7-8-15(12)20-17(23)21-18(9-5-4-6-10-18)16-19-13(2)22-25-16/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyXVECXFFINFHKJR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792017) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID71792017
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(c3nc(C)no3)CCCCC2)c(C)c1
InChIInChI=1S/C18H24N4O3/c1-12-11-14(24-3)7-8-15(12)20-17(23)21-18(9-5-4-6-10-18)16-19-13(2)22-25-16/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyXVECXFFINFHKJR-UHFFFAOYSA-N
XLogP3.68
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792054
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
CID 53181987
3-cyano-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]benzamide
CID 53181949
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophen-3-ylacetamide
CID 71791995
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-methoxy-2-methylphenyl)cyclobutane-1-carboxamide
CID 80597046
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methyl-4-propan-2-yloxyphenyl)urea
CID 95307029
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11509641

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792017) is 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is COc1ccc(NC(=O)NC2(c3nc(C)no3)CCCCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is XVECXFFINFHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-11-14(24-3)7-8-15(12)20-17(23)21-18(9-5-4-6-10-18)16-19-13(2)22-25-16/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).