N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

C16H18N4O2 — CID 95207291

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c1-2-12-8-13(22-20-12)9-17-16(21)14-10-18-19-15(14)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyCVSOUGCSSWZYNE-ZDUSSCGKSA-N
MW298.35 g/mol
LogP2.36
Rot. Bonds5

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 95207291) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID95207291
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCC1=NO[C@H](CNC(=O)c2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C16H18N4O2/c1-2-12-8-13(22-20-12)9-17-16(21)14-10-18-19-15(14)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyCVSOUGCSSWZYNE-ZDUSSCGKSA-N
XLogP2.36
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 138989465
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50957554
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 80712390
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 125156213
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 87018608
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97434585

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 95207291) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is CCC1=NO[C@H](CNC(=O)c2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is CVSOUGCSSWZYNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-12-8-13(22-20-12)9-17-16(21)14-10-18-19-15(14)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95207291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).