1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C18H17N5O2 — CID 90562689

IUPAC1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESC=CCNC(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H17N5O2/c1-2-9-20-18(24)21-15-8-4-3-6-13(15)11-16-22-17(23-25-16)14-7-5-10-19-12-14/h2-8,10,12H,1,9,11H2,(H2,20,21,24)
InChIKeyAGRVWNGQDJGTSE-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.03
Rot. Bonds6

About 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 90562689) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
PubChem CID90562689
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
SMILESC=CCNC(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H17N5O2/c1-2-9-20-18(24)21-15-8-4-3-6-13(15)11-16-22-17(23-25-16)14-7-5-10-19-12-14/h2-8,10,12H,1,9,11H2,(H2,20,21,24)
InChIKeyAGRVWNGQDJGTSE-UHFFFAOYSA-N
XLogP3.03
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]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

1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527
1-(3,5-dimethylphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562669
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562676
1-(2-ethoxyphenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562672
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
CID 90562611
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 90562478
2,3,4-trifluoro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562645
2-nitro-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562473
benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
CID 90562603
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 90562689) is 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is C=CCNC(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
The InChIKey is AGRVWNGQDJGTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-9-20-18(24)21-15-8-4-3-6-13(15)11-16-22-17(23-25-16)14-7-5-10-19-12-14/h2-8,10,12H,1,9,11H2,(H2,20,21,24).
What are the key properties of 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?
1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 335.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 90562689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).