5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C14H13ClN6O5 — CID 100720445

IUPAC5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@H]2CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H13ClN6O5/c15-8-4-3-7(6-10(8)21(24)25)17-14(23)20-5-1-2-9(20)13-18-12(11(16)22)19-26-13/h3-4,6,9H,1-2,5H2,(H2,16,22)(H,17,23)/t9-/m1/s1
InChIKeyUDNNXCSGDNXCGY-SECBINFHSA-N
MW380.75 g/mol
LogP2.10
Rot. Bonds4

About 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 100720445) has the molecular formula C14H13ClN6O5 and a molecular weight of 380.75 g/mol. Its IUPAC name is 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID100720445
Molecular FormulaC14H13ClN6O5
Molecular Weight380.75 g/mol
Exact Mass380.06
IUPAC Name5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc([C@H]2CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C14H13ClN6O5/c15-8-4-3-7(6-10(8)21(24)25)17-14(23)20-5-1-2-9(20)13-18-12(11(16)22)19-26-13/h3-4,6,9H,1-2,5H2,(H2,16,22)(H,17,23)/t9-/m1/s1
InChIKeyUDNNXCSGDNXCGY-SECBINFHSA-N
XLogP2.10
TPSA157.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
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'}

Analyze 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 119036537
(2S)-N-(3,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7410850
(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-difluorophenyl)pyrrolidine-1-carboxamide
CID 7417635
(4-chloro-3-nitrophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7295782
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876
(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
CID 9188252
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
N-(4-bromophenyl)-2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4239791
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039437

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 100720445) is 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc([C@H]2CCCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is UDNNXCSGDNXCGY-SECBINFHSA-N. The full InChI is InChI=1S/C14H13ClN6O5/c15-8-4-3-7(6-10(8)21(24)25)17-14(23)20-5-1-2-9(20)13-18-12(11(16)22)19-26-13/h3-4,6,9H,1-2,5H2,(H2,16,22)(H,17,23)/t9-/m1/s1.
What are the key properties of 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?
5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 380.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(4-chloro-3-nitrophenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 100720445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).