5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

C21H22FN5O3 — CID 91628921

IUPAC5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1
InChIInChI=1S/C21H22FN5O3/c1-12-19(13(2)30-26-12)21(29)27-9-7-14(8-10-27)17-11-18(25-24-17)20(28)23-16-6-4-3-5-15(16)22/h3-6,11,14H,7-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNXMSFTXULRDDPN-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.43
Rot. Bonds4

About 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 91628921) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID91628921
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1
InChIInChI=1S/C21H22FN5O3/c1-12-19(13(2)30-26-12)21(29)27-9-7-14(8-10-27)17-11-18(25-24-17)20(28)23-16-6-4-3-5-15(16)22/h3-6,11,14H,7-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNXMSFTXULRDDPN-UHFFFAOYSA-N
XLogP3.43
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-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

5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628904
N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628898
N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628916
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-1H-pyridin-4-one
CID 110245983
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 110265042
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90616875
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71891242
N-(2-fluorophenyl)-4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 136680740
1-[(2S)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92632425
1-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110252795
N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 92621735

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 91628921) is 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is Cc1noc(C)c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NXMSFTXULRDDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-12-19(13(2)30-26-12)21(29)27-9-7-14(8-10-27)17-11-18(25-24-17)20(28)23-16-6-4-3-5-15(16)22/h3-6,11,14H,7-10H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).