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

C22H20N4O3 — CID 1010739

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H20N4O3/c1-14-19(22(28)26(25(14)3)17-12-8-5-9-13-17)23-21(27)18-15(2)29-24-20(18)16-10-6-4-7-11-16/h4-13H,1-3H3,(H,23,27)
InChIKeySESNSKQJDHIINS-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.70
Rot. Bonds4

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1010739) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1010739
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C22H20N4O3/c1-14-19(22(28)26(25(14)3)17-12-8-5-9-13-17)23-21(27)18-15(2)29-24-20(18)16-10-6-4-7-11-16/h4-13H,1-3H3,(H,23,27)
InChIKeySESNSKQJDHIINS-UHFFFAOYSA-N
XLogP3.70
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-3-methyl-
CID 33028
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4783580
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741138
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 1220334
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenyl-3-isoxazolecarboxamide
CID 1302330
5-Methyl-6-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one
CID 11223729
5-Methyl-3-(2-nitro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
CID 11531313

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1010739) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is SESNSKQJDHIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-19(22(28)26(25(14)3)17-12-8-5-9-13-17)23-21(27)18-15(2)29-24-20(18)16-10-6-4-7-11-16/h4-13H,1-3H3,(H,23,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1010739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).