N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

C21H25N5O2 — CID 75474491

IUPACN-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCc1nc(CN2CCCC(c3[nH]ncc3NC(=O)c3ccccc3)C2)oc1C
InChIInChI=1S/C21H25N5O2/c1-14-15(2)28-19(23-14)13-26-10-6-9-17(12-26)20-18(11-22-25-20)24-21(27)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyDSJHNWWHZZBXJY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.65
Rot. Bonds5

About N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide

N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 75474491) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID75474491
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
SMILESCc1nc(CN2CCCC(c3[nH]ncc3NC(=O)c3ccccc3)C2)oc1C
InChIInChI=1S/C21H25N5O2/c1-14-15(2)28-19(23-14)13-26-10-6-9-17(12-26)20-18(11-22-25-20)24-21(27)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyDSJHNWWHZZBXJY-UHFFFAOYSA-N
XLogP3.65
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide with MolForge

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Related Compounds

N-[5-[(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-4-methoxybenzamide
CID 97344503
N-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-4-yl]benzamide
CID 146088409
N-[5-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343253
4-methoxy-N-[5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344525
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473815
N-[5-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343239
N-[5-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343244
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
(3S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-ol
CID 107226246

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide (CID 75474491) is N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is Cc1nc(CN2CCCC(c3[nH]ncc3NC(=O)c3ccccc3)C2)oc1C.
What is the InChIKey of N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is DSJHNWWHZZBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-15(2)28-19(23-14)13-26-10-6-9-17(12-26)20-18(11-22-25-20)24-21(27)16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,22,25)(H,24,27).
What are the key properties of N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide?
N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 75474491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).