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

C18H18N4O2 — CID 90562124

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2Cc2nc(C)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-15(10-8-12)20-18(23)21-16-6-4-3-5-14(16)11-17-19-13(2)22-24-17/h3-10H,11H2,1-2H3,(H2,20,21,23)
InChIKeyJPDXDQGBLPKOKR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.92
Rot. Bonds4

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

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 90562124) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
PubChem CID90562124
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2Cc2nc(C)no2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-15(10-8-12)20-18(23)21-16-6-4-3-5-14(16)11-17-19-13(2)22-24-17/h3-10H,11H2,1-2H3,(H2,20,21,23)
InChIKeyJPDXDQGBLPKOKR-UHFFFAOYSA-N
XLogP3.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxyphenyl)-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800485
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90562143
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-thiophen-2-ylurea
CID 71800478
1-benzhydryl-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800484
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
(2S)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenoxypropanamide
CID 97414222

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea (CID 90562124) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2Cc2nc(C)no2)cc1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is JPDXDQGBLPKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-9-15(10-8-12)20-18(23)21-16-6-4-3-5-14(16)11-17-19-13(2)22-24-17/h3-10H,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90562124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).