N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide

C16H17N5O4 — CID 86805168

IUPACN-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C16H17N5O4/c22-15(17-11-5-6-11)13-2-1-9-20(13)16-18-14(19-25-16)10-3-7-12(8-4-10)21(23)24/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,22)
InChIKeyDCOULFMYEURGLF-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.89
Rot. Bonds5

About N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 86805168) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID86805168
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C16H17N5O4/c22-15(17-11-5-6-11)13-2-1-9-20(13)16-18-14(19-25-16)10-3-7-12(8-4-10)21(23)24/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,22)
InChIKeyDCOULFMYEURGLF-UHFFFAOYSA-N
XLogP1.89
TPSA114.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
1-methyl-3-[1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]urea
CID 146089635
N-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
CID 86805159
1-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909036
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 4315437
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20904897
tert-butyl (2S)-2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 19330763
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 3597746
(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061702
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide (CID 86805168) is N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1.
What is the InChIKey of N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is DCOULFMYEURGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c22-15(17-11-5-6-11)13-2-1-9-20(13)16-18-14(19-25-16)10-3-7-12(8-4-10)21(23)24/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,22).
What are the key properties of N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86805168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).