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

C19H20N4O2 — CID 53005886

IUPAC1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3ccccc3C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-3-11-20-19(24)21-15-9-6-8-14(12-15)17-22-18(25-23-17)16-10-5-4-7-13(16)2/h4-10,12H,3,11H2,1-2H3,(H2,20,21,24)
InChIKeyXGFFOGKKMOSGNM-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.24
Rot. Bonds5

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

1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (PubChem CID 53005886) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
PubChem CID53005886
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2noc(-c3ccccc3C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-3-11-20-19(24)21-15-9-6-8-14(12-15)17-22-18(25-23-17)16-10-5-4-7-13(16)2/h4-10,12H,3,11H2,1-2H3,(H2,20,21,24)
InChIKeyXGFFOGKKMOSGNM-UHFFFAOYSA-N
XLogP4.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The IUPAC name of 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea (CID 53005886) is 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The canonical SMILES for 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2noc(-c3ccccc3C)n2)c1.
What is the InChIKey of 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
The InChIKey is XGFFOGKKMOSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-11-20-19(24)21-15-9-6-8-14(12-15)17-22-18(25-23-17)16-10-5-4-7-13(16)2/h4-10,12H,3,11H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea?
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea has a molecular weight of 336.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea is sourced from PubChem (CID 53005886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).