N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide

C15H19N5O3 — CID 137270830

IUPACN-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)C1CC(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)NN1
InChIInChI=1S/C15H19N5O3/c1-8(2)11-7-12(19-18-11)14(21)16-10-5-3-9(4-6-10)13-17-15(22)23-20-13/h3-6,8,11-12,18-19H,7H2,1-2H3,(H,16,21)(H,17,20,22)
InChIKeyMMFLCPQSVFEGEU-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.86
Rot. Bonds4

About N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide

N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide (PubChem CID 137270830) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide
PubChem CID137270830
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide
SMILESCC(C)C1CC(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)NN1
InChIInChI=1S/C15H19N5O3/c1-8(2)11-7-12(19-18-11)14(21)16-10-5-3-9(4-6-10)13-17-15(22)23-20-13/h3-6,8,11-12,18-19H,7H2,1-2H3,(H,16,21)(H,17,20,22)
InChIKeyMMFLCPQSVFEGEU-UHFFFAOYSA-N
XLogP0.86
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
CID 140681320
ethane;3-(4-propan-2-ylphenyl)-4H-1,2,4-oxadiazol-5-one
CID 177334069
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446
(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 136783606
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 136707450
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661
2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136612275
(2S)-3-(4-bromophenyl)-2-formamido-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]propanamide
CID 144813532
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 136710911
tert-butyl N-[(1S)-2-fluoro-1-[4-[(2R,3S)-2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-3-piperidin-1-ylpyrrolidine-1-carbonyl]cyclohexyl]ethyl]carbamate
CID 140681315

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide (CID 137270830) is N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide is CC(C)C1CC(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)NN1.
What is the InChIKey of N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide?
The InChIKey is MMFLCPQSVFEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-8(2)11-7-12(19-18-11)14(21)16-10-5-3-9(4-6-10)13-17-15(22)23-20-13/h3-6,8,11-12,18-19H,7H2,1-2H3,(H,16,21)(H,17,20,22).
What are the key properties of N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide?
N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 137270830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).