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

C17H22N4O2 — CID 56825522

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
SMILESCc1cccc(C2(NC(=O)NCc3nc(C)no3)CCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)20-16(22)18-11-15-19-13(2)21-23-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,18,20,22)
InChIKeyRGUOTVFZAMXEFW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.96
Rot. Bonds4

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea (PubChem CID 56825522) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
PubChem CID56825522
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
SMILESCc1cccc(C2(NC(=O)NCc3nc(C)no3)CCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)20-16(22)18-11-15-19-13(2)21-23-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,18,20,22)
InChIKeyRGUOTVFZAMXEFW-UHFFFAOYSA-N
XLogP2.96
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479
1-[(1-hydroxycyclohexyl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 110936721
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[(3-methylphenyl)methyl]guanidine
CID 111900321
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
4-[[1-(3-methylphenyl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673434
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[(3-methylphenyl)methyl]urea
CID 113215580
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 56823999

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea (CID 56825522) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea is Cc1cccc(C2(NC(=O)NCc3nc(C)no3)CCCC2)c1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea?
The InChIKey is RGUOTVFZAMXEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)20-16(22)18-11-15-19-13(2)21-23-15/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea is sourced from PubChem (CID 56825522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).