1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

C22H24N4O3 — CID 71792054

IUPAC1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOc1cccc(NC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-12-8-11-17(15-18)23-21(27)25-22(13-6-3-7-14-22)20-24-19(26-29-20)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H2,23,25,27)
InChIKeyUNLXMBWDVOYMJN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.73
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea

1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (PubChem CID 71792054) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
PubChem CID71792054
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
SMILESCOc1cccc(NC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-12-8-11-17(15-18)23-21(27)25-22(13-6-3-7-14-22)20-24-19(26-29-20)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H2,23,25,27)
InChIKeyUNLXMBWDVOYMJN-UHFFFAOYSA-N
XLogP4.73
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylbenzamide
CID 53182024
3-cyano-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]benzamide
CID 53181949
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
1-(4-methoxy-2-methylphenyl)-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792017
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
CID 52858727
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CID 71792054) is 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is COc1cccc(NC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
The InChIKey is UNLXMBWDVOYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-12-8-11-17(15-18)23-21(27)25-22(13-6-3-7-14-22)20-24-19(26-29-20)16-9-4-2-5-10-16/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H2,23,25,27).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea?
1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea has a molecular weight of 392.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea is sourced from PubChem (CID 71792054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).