N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide

C20H26N4O3 — CID 5147270

IUPACN-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C20H26N4O3/c1-5-15-9-7-10-16(6-2)18(15)21-20(26)24-12-8-11-23(24)19(25)17-13(3)22-27-14(17)4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,21,26)
InChIKeyFDFIOUMJIJTTFJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.71
Rot. Bonds4

About N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide

N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 5147270) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
PubChem CID5147270
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)c1c(C)noc1C
InChIInChI=1S/C20H26N4O3/c1-5-15-9-7-10-16(6-2)18(15)21-20(26)24-12-8-11-23(24)19(25)17-13(3)22-27-14(17)4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,21,26)
InChIKeyFDFIOUMJIJTTFJ-UHFFFAOYSA-N
XLogP3.71
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-diethylphenyl)-1-N-propan-2-ylpyrazolidine-1,2-dicarboxamide
CID 3538975
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
CID 3602399
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3741194
methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3413005
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-ylpyrazolidine-1-carbothioamide
CID 23770459
ethyl 5-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate
CID 3738519
[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 23824938
2-(5-acetamido-2-nitrobenzoyl)-N-(2,6-diethylphenyl)pyrazolidine-1-carboxamide
CID 3704108
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-propan-2-yl-6-propylphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3871567
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 40879870

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide (CID 5147270) is N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide is CCc1cccc(CC)c1NC(=O)N1CCCN1C(=O)c1c(C)noc1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is FDFIOUMJIJTTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-15-9-7-10-16(6-2)18(15)21-20(26)24-12-8-11-23(24)19(25)17-13(3)22-27-14(17)4/h7,9-10H,5-6,8,11-12H2,1-4H3,(H,21,26).
What are the key properties of N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide?
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 5147270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).