2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide

C20H18N4O2 — CID 91775954

IUPAC2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C20H18N4O2/c1-13-17(14-7-3-2-4-8-14)18(13)20(25)22-12-10-16-23-19(24-26-16)15-9-5-6-11-21-15/h2-9,11,18H,10,12H2,1H3,(H,22,25)
InChIKeyUCESHGODWZGHME-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.89
Rot. Bonds6

About 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide

2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide (PubChem CID 91775954) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
PubChem CID91775954
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)C1C(=O)NCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C20H18N4O2/c1-13-17(14-7-3-2-4-8-14)18(13)20(25)22-12-10-16-23-19(24-26-16)15-9-5-6-11-21-15/h2-9,11,18H,10,12H2,1H3,(H,22,25)
InChIKeyUCESHGODWZGHME-UHFFFAOYSA-N
XLogP2.89
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 126424696
5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
CID 134128002
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
2-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91796955
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 91766111
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 171347624
(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
CID 91794923
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide (CID 91775954) is 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)C1C(=O)NCCc1nc(-c2ccccn2)no1.
What is the InChIKey of 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide?
The InChIKey is UCESHGODWZGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-17(14-7-3-2-4-8-14)18(13)20(25)22-12-10-16-23-19(24-26-16)15-9-5-6-11-21-15/h2-9,11,18H,10,12H2,1H3,(H,22,25).
What are the key properties of 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide?
2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 91775954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).