N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide

C22H25N5O4 — CID 42591639

IUPACN-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C22H25N5O4/c1-14-20(15(2)31-25-14)22(29)26-12-9-17(10-13-26)27-19(8-11-23-27)24-21(28)16-4-6-18(30-3)7-5-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,24,28)
InChIKeyQBRHWUCVZMERIV-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.23
Rot. Bonds5

About N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide

N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide (PubChem CID 42591639) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
PubChem CID42591639
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C22H25N5O4/c1-14-20(15(2)31-25-14)22(29)26-12-9-17(10-13-26)27-19(8-11-23-27)24-21(28)16-4-6-18(30-3)7-5-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,24,28)
InChIKeyQBRHWUCVZMERIV-UHFFFAOYSA-N
XLogP3.23
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 56700714
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
N-(2-ethylphenyl)-4-[5-[(4-methoxybenzoyl)amino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42567750
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24817414
4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 26392217
4-methoxy-N-[2-[1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 95228095
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 91811549
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide (CID 42591639) is N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is QBRHWUCVZMERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-20(15(2)31-25-14)22(29)26-12-9-17(10-13-26)27-19(8-11-23-27)24-21(28)16-4-6-18(30-3)7-5-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide?
N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 423.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 42591639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).