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

C18H22N4O2 — CID 72717385

IUPAC1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)NC1CCCC1
InChIInChI=1S/C18H22N4O2/c23-18(19-14-6-2-3-7-14)20-15-8-4-1-5-13(15)11-16-21-17(22-24-16)12-9-10-12/h1,4-5,8,12,14H,2-3,6-7,9-11H2,(H2,19,20,23)
InChIKeyDRFSPHNVZMZRLO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.60
Rot. Bonds5

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

1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 72717385) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID72717385
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)NC1CCCC1
InChIInChI=1S/C18H22N4O2/c23-18(19-14-6-2-3-7-14)20-15-8-4-1-5-13(15)11-16-21-17(22-24-16)12-9-10-12/h1,4-5,8,12,14H,2-3,6-7,9-11H2,(H2,19,20,23)
InChIKeyDRFSPHNVZMZRLO-UHFFFAOYSA-N
XLogP3.60
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 72717385) is 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is O=C(Nc1ccccc1Cc1nc(C2CC2)no1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is DRFSPHNVZMZRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(19-14-6-2-3-7-14)20-15-8-4-1-5-13(15)11-16-21-17(22-24-16)12-9-10-12/h1,4-5,8,12,14H,2-3,6-7,9-11H2,(H2,19,20,23).
What are the key properties of 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 72717385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).