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

C19H23N7O2 — CID 72850511

IUPAC1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C19H23N7O2/c1-25(11-16-22-18(28-24-16)14-5-3-4-6-14)19(27)21-15-9-7-13(8-10-15)17-23-20-12-26(17)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,27)
InChIKeyZCBOWIQJILVKDM-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.19
Rot. Bonds5

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

1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 72850511) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID72850511
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCN(Cc1noc(C2CCCC2)n1)C(=O)Nc1ccc(-c2nncn2C)cc1
InChIInChI=1S/C19H23N7O2/c1-25(11-16-22-18(28-24-16)14-5-3-4-6-14)19(27)21-15-9-7-13(8-10-15)17-23-20-12-26(17)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,27)
InChIKeyZCBOWIQJILVKDM-UHFFFAOYSA-N
XLogP3.19
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 72850511) is 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1ccc(-c2nncn2C)cc1.
What is the InChIKey of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is ZCBOWIQJILVKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-25(11-16-22-18(28-24-16)14-5-3-4-6-14)19(27)21-15-9-7-13(8-10-15)17-23-20-12-26(17)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,27).
What are the key properties of 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 381.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 72850511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).