N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H21FN4O2 — CID 43071831

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)C3CC(c4cccc(F)c4)=NO3)c2C)cc1
InChIInChI=1S/C22H21FN4O2/c1-13-7-9-18(10-8-13)27-15(3)21(14(2)25-27)24-22(28)20-12-19(26-29-20)16-5-4-6-17(23)11-16/h4-11,20H,12H2,1-3H3,(H,24,28)
InChIKeyQRPGHDGODMRTFX-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.07
Rot. Bonds4

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 43071831) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID43071831
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)C3CC(c4cccc(F)c4)=NO3)c2C)cc1
InChIInChI=1S/C22H21FN4O2/c1-13-7-9-18(10-8-13)27-15(3)21(14(2)25-27)24-22(28)20-12-19(26-29-20)16-5-4-6-17(23)11-16/h4-11,20H,12H2,1-3H3,(H,24,28)
InChIKeyQRPGHDGODMRTFX-UHFFFAOYSA-N
XLogP4.07
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-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

3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
3-(3-fluorophenyl)-N-[4-[3-(methylcarbamoyl)pyrazol-1-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47091988
3-(3-bromophenyl)-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495766
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 43071831) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(-n2nc(C)c(NC(=O)C3CC(c4cccc(F)c4)=NO3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QRPGHDGODMRTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13-7-9-18(10-8-13)27-15(3)21(14(2)25-27)24-22(28)20-12-19(26-29-20)16-5-4-6-17(23)11-16/h4-11,20H,12H2,1-3H3,(H,24,28).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).