1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea

C18H25N5O2 — CID 74577512

IUPAC1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC(c2nc(Cc3ccccc3)no2)N(C)C1
InChIInChI=1S/C18H25N5O2/c1-12(2)19-18(24)20-14-10-15(23(3)11-14)17-21-16(22-25-17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyGFHQEENQNXTTLY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.11
Rot. Bonds5

About 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea

1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 74577512) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID74577512
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CC(c2nc(Cc3ccccc3)no2)N(C)C1
InChIInChI=1S/C18H25N5O2/c1-12(2)19-18(24)20-14-10-15(23(3)11-14)17-21-16(22-25-17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H2,19,20,24)
InChIKeyGFHQEENQNXTTLY-UHFFFAOYSA-N
XLogP2.11
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea (CID 74577512) is 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CC(c2nc(Cc3ccccc3)no2)N(C)C1.
What is the InChIKey of 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is GFHQEENQNXTTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)19-18(24)20-14-10-15(23(3)11-14)17-21-16(22-25-17)9-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea?
1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 343.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 74577512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).