N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H15N5O4 — CID 17354679

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(=O)c1c(C)oc(NC(=O)CCc2nc(-c3ccccn3)no2)c1C#N
InChIInChI=1S/C18H15N5O4/c1-10(24)16-11(2)26-18(12(16)9-19)21-14(25)6-7-15-22-17(23-27-15)13-5-3-4-8-20-13/h3-5,8H,6-7H2,1-2H3,(H,21,25)
InChIKeyHCOVZXJWODCUSY-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.68
Rot. Bonds6

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 17354679) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID17354679
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(=O)c1c(C)oc(NC(=O)CCc2nc(-c3ccccn3)no2)c1C#N
InChIInChI=1S/C18H15N5O4/c1-10(24)16-11(2)26-18(12(16)9-19)21-14(25)6-7-15-22-17(23-27-15)13-5-3-4-8-20-13/h3-5,8H,6-7H2,1-2H3,(H,21,25)
InChIKeyHCOVZXJWODCUSY-UHFFFAOYSA-N
XLogP2.68
TPSA134.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869662
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78887811

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 17354679) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(=O)c1c(C)oc(NC(=O)CCc2nc(-c3ccccn3)no2)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HCOVZXJWODCUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-10(24)16-11(2)26-18(12(16)9-19)21-14(25)6-7-15-22-17(23-27-15)13-5-3-4-8-20-13/h3-5,8H,6-7H2,1-2H3,(H,21,25).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 365.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 17354679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).