1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C21H27N5O2 — CID 97275069

IUPAC1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCCC1=NO[C@H](CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1
InChIInChI=1S/C21H27N5O2/c1-2-17-14-20(28-24-17)15-25-12-8-16(9-13-25)21(27)23-18-4-6-19(7-5-18)26-11-3-10-22-26/h3-7,10-11,16,20H,2,8-9,12-15H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyWUQRFGSOEVXYTJ-FQEVSTJZSA-N
MW381.48 g/mol
LogP3.08
Rot. Bonds6

About 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 97275069) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID97275069
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCCC1=NO[C@H](CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1
InChIInChI=1S/C21H27N5O2/c1-2-17-14-20(28-24-17)15-25-12-8-16(9-13-25)21(27)23-18-4-6-19(7-5-18)26-11-3-10-22-26/h3-7,10-11,16,20H,2,8-9,12-15H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyWUQRFGSOEVXYTJ-FQEVSTJZSA-N
XLogP3.08
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 72932505
1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 25477192
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 46472669
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 56525515
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45245025
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 78888807
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089

Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 97275069) is 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is CCC1=NO[C@H](CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)C1.
What is the InChIKey of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is WUQRFGSOEVXYTJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-17-14-20(28-24-17)15-25-12-8-16(9-13-25)21(27)23-18-4-6-19(7-5-18)26-11-3-10-22-26/h3-7,10-11,16,20H,2,8-9,12-15H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 97275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).