N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

C18H15N5O2 — CID 53138284

IUPACN-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccn2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-10-12-3-7-14(8-4-12)20-17(24)15-2-1-9-23(15)11-16-21-18(25-22-16)13-5-6-13/h1-4,7-9,13H,5-6,11H2,(H,20,24)
InChIKeyRZUFVFFFIAHRSS-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.92
Rot. Bonds5

About N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138284) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138284
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccn2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-10-12-3-7-14(8-4-12)20-17(24)15-2-1-9-23(15)11-16-21-18(25-22-16)13-5-6-13/h1-4,7-9,13H,5-6,11H2,(H,20,24)
InChIKeyRZUFVFFFIAHRSS-UHFFFAOYSA-N
XLogP2.92
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66398685
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742
4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 131941425
N-(3-fluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138219
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
CID 86794622
N-(4-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200315
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
CID 53057036
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
CID 119323634
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 1457234

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138284) is N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is N#Cc1ccc(NC(=O)c2cccn2Cc2noc(C3CC3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is RZUFVFFFIAHRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-10-12-3-7-14(8-4-12)20-17(24)15-2-1-9-23(15)11-16-21-18(25-22-16)13-5-6-13/h1-4,7-9,13H,5-6,11H2,(H,20,24).
What are the key properties of N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).