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

C14H16N4O2 — CID 8895595

IUPAC3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)NC
InChIInChI=1S/C14H16N4O2/c1-3-9-18(14(19)15-2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,15,19)
InChIKeyGKYHZZYBTIOKPF-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.06
Rot. Bonds5

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

3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea (PubChem CID 8895595) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
PubChem CID8895595
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
SMILESC=CCN(Cc1nc(-c2ccccc2)no1)C(=O)NC
InChIInChI=1S/C14H16N4O2/c1-3-9-18(14(19)15-2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,15,19)
InChIKeyGKYHZZYBTIOKPF-UHFFFAOYSA-N
XLogP2.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 6462165
3-(4-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 17325317
2-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylfuran-3-carboxamide
CID 6462831
(2R)-2-amino-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylacetamide;hydrochloride
CID 154892021
2,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylbenzamide
CID 8875297
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 6464157
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-yl-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 50953657
3-tert-butyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-prop-2-enylurea
CID 8895882
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxyphenyl)-1-prop-2-enylurea
CID 3164426
2-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835731
3-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzamide
CID 8835655
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpropanamide
CID 8894930

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea?
The IUPAC name of 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea (CID 8895595) is 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea.
What is the SMILES notation for 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea?
The canonical SMILES for 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea is C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)NC.
What is the InChIKey of 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea?
The InChIKey is GKYHZZYBTIOKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-9-18(14(19)15-2)10-12-16-13(17-20-12)11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,15,19).
What are the key properties of 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea?
3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea has a molecular weight of 272.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea is sourced from PubChem (CID 8895595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).