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

C15H18N4O2 — CID 131949110

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-2-4-11(5-3-10)8-16-15(20)17-9-13-18-14(21-19-13)12-6-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17,20)
InChIKeyQLAMBYDJZZZCHP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.25
Rot. Bonds5

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 131949110) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID131949110
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-2-4-11(5-3-10)8-16-15(20)17-9-13-18-14(21-19-13)12-6-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17,20)
InChIKeyQLAMBYDJZZZCHP-UHFFFAOYSA-N
XLogP2.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 50754933
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-hydroxy-3-(2-methylphenoxy)propanamide
CID 91785855
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 131905937
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
CID 167974510
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122557631

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea (CID 131949110) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2noc(C3CC3)n2)cc1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is QLAMBYDJZZZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-2-4-11(5-3-10)8-16-15(20)17-9-13-18-14(21-19-13)12-6-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 286.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 131949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).