N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide

C21H18N4O2 — CID 97089380

IUPACN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccon1
InChIInChI=1S/C21H18N4O2/c1-15(19-11-13-27-24-19)23-21(26)17-8-5-9-18(14-17)25-20(10-12-22-25)16-6-3-2-4-7-16/h2-15H,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCJYUYJPNJFADJB-OAHLLOKOSA-N
MW358.40 g/mol
LogP4.02
Rot. Bonds5

About N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide

N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide (PubChem CID 97089380) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
PubChem CID97089380
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide
SMILESC[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccon1
InChIInChI=1S/C21H18N4O2/c1-15(19-11-13-27-24-19)23-21(26)17-8-5-9-18(14-17)25-20(10-12-22-25)16-6-3-2-4-7-16/h2-15H,1H3,(H,23,26)/t15-/m1/s1
InChIKeyCJYUYJPNJFADJB-OAHLLOKOSA-N
XLogP4.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 110906604
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
3-(5-phenylpyrazol-1-yl)benzoic acid
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3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
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N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
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N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 71864177
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
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1-[3-(5-propan-2-ylpyrazol-1-yl)phenyl]ethanone
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3-(5-phenylpyrazol-1-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
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CID 16776531
3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460163
N-[(2S)-1-aminopropan-2-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120505817

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide (CID 97089380) is N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide is C[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccon1.
What is the InChIKey of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide?
The InChIKey is CJYUYJPNJFADJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15(19-11-13-27-24-19)23-21(26)17-8-5-9-18(14-17)25-20(10-12-22-25)16-6-3-2-4-7-16/h2-15H,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide?
N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-3-(5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 97089380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).