N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C20H21N5O4 — CID 90511515

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)no1
InChIInChI=1S/C20H21N5O4/c1-12-9-16(22-29-12)19(27)24-10-14(11-24)18(26)21-17-13(2)23(3)25(20(17)28)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,26)
InChIKeyUTYKQZMRZLAKEN-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.49
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511515) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511515
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)no1
InChIInChI=1S/C20H21N5O4/c1-12-9-16(22-29-12)19(27)24-10-14(11-24)18(26)21-17-13(2)23(3)25(20(17)28)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,26)
InChIKeyUTYKQZMRZLAKEN-UHFFFAOYSA-N
XLogP1.49
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
(2S,4S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylpiperidine-4-carboxamide
CID 120615912
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
CID 90511291
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089284
(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511515) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)no1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is UTYKQZMRZLAKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-9-16(22-29-12)19(27)24-10-14(11-24)18(26)21-17-13(2)23(3)25(20(17)28)15-7-5-4-6-8-15/h4-9,14H,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).