4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide

C22H28ClN7O3 — CID 123430084

IUPAC4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
SMILESCCN(C(=O)CCC(C)=NOCc1noc(C(C)(C)C)n1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H28ClN7O3/c1-6-29(17-13-30(26-20(17)23)16-8-7-11-24-12-16)19(31)10-9-15(2)27-32-14-18-25-21(33-28-18)22(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyHCOBYZSKEZASIV-UHFFFAOYSA-N
MW473.97 g/mol
LogP4.33
Rot. Bonds9

About 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide

4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide (PubChem CID 123430084) has the molecular formula C22H28ClN7O3 and a molecular weight of 473.97 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
PubChem CID123430084
Molecular FormulaC22H28ClN7O3
Molecular Weight473.97 g/mol
Exact Mass473.19
IUPAC Name4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
SMILESCCN(C(=O)CCC(C)=NOCc1noc(C(C)(C)C)n1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H28ClN7O3/c1-6-29(17-13-30(26-20(17)23)16-8-7-11-24-12-16)19(31)10-9-15(2)27-32-14-18-25-21(33-28-18)22(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyHCOBYZSKEZASIV-UHFFFAOYSA-N
XLogP4.33
TPSA111.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide
CID 118032695
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 123192126
(4E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-(2,2,2-trifluoroethoxyimino)pentanamide
CID 118032679
(4Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4-methoxyimino-N-methylpentanamide
CID 118032671
N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
CID 118022786
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-ethoxyimino-N-ethyl-3-sulfanylpropanamide
CID 118021798
[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-propylcarbamic acid
CID 118023775
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2-oxopyrrolidin-1-yl)propanamide
CID 118023676
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluoro-2-methylbutanamide
CID 118023218
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylpropanamide
CID 86700615
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?
The IUPAC name of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide (CID 123430084) is 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?
The canonical SMILES for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide is CCN(C(=O)CCC(C)=NOCc1noc(C(C)(C)C)n1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?
The InChIKey is HCOBYZSKEZASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN7O3/c1-6-29(17-13-30(26-20(17)23)16-8-7-11-24-12-16)19(31)10-9-15(2)27-32-14-18-25-21(33-28-18)22(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3.
What are the key properties of 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide?
4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide has a molecular weight of 473.97 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxyimino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpentanamide is sourced from PubChem (CID 123430084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).