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

C15H19N5O2 — CID 121495574

IUPAC1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
SMILESO=C(NCc1nc(-c2ccccc2)no1)NC[C@@H]1CCCN1
InChIInChI=1S/C15H19N5O2/c21-15(17-9-12-7-4-8-16-12)18-10-13-19-14(20-22-13)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H2,17,18,21)/t12-/m0/s1
InChIKeyDLYGOMLFTMYGDW-LBPRGKRZSA-N
MW301.35 g/mol
LogP1.29
Rot. Bonds5

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

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea (PubChem CID 121495574) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
PubChem CID121495574
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
SMILESO=C(NCc1nc(-c2ccccc2)no1)NC[C@@H]1CCCN1
InChIInChI=1S/C15H19N5O2/c21-15(17-9-12-7-4-8-16-12)18-10-13-19-14(20-22-13)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H2,17,18,21)/t12-/m0/s1
InChIKeyDLYGOMLFTMYGDW-LBPRGKRZSA-N
XLogP1.29
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

Butalamine
CID 30949
1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]urea
CID 50994059
2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2231342
N-cyclopentyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 3160269
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-L-prolinamide
CID 16189892
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
(2S)-2-[3-(4-octylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
CID 71661218
(2S,3S)-2-amino-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)butan-1-one
CID 23645686
(2S,3S)-2-amino-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645689
(2S,3S)-2-amino-3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one
CID 23645700
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
1-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 648164

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea (CID 121495574) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea is O=C(NCc1nc(-c2ccccc2)no1)NC[C@@H]1CCCN1.
What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
The InChIKey is DLYGOMLFTMYGDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(17-9-12-7-4-8-16-12)18-10-13-19-14(20-22-13)11-5-2-1-3-6-11/h1-3,5-6,12,16H,4,7-10H2,(H2,17,18,21)/t12-/m0/s1.
What are the key properties of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea?
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea has a molecular weight of 301.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 121495574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).