5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 51277216

IUPAC5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2Cn2cccn2)no1
InChIInChI=1S/C16H16N4O2/c1-12-9-15(19-22-12)16(21)17-10-13-5-2-3-6-14(13)11-20-8-4-7-18-20/h2-9H,10-11H2,1H3,(H,17,21)
InChIKeyIETMSBUADAVCQU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.16
Rot. Bonds5

About 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 51277216) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID51277216
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2Cn2cccn2)no1
InChIInChI=1S/C16H16N4O2/c1-12-9-15(19-22-12)16(21)17-10-13-5-2-3-6-14(13)11-20-8-4-7-18-20/h2-9H,10-11H2,1H3,(H,17,21)
InChIKeyIETMSBUADAVCQU-UHFFFAOYSA-N
XLogP2.16
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
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CID 60607130
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 156585216
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419173
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 24560804
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 51277216) is 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)no1.
What is the InChIKey of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IETMSBUADAVCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-12-9-15(19-22-12)16(21)17-10-13-5-2-3-6-14(13)11-20-8-4-7-18-20/h2-9H,10-11H2,1H3,(H,17,21).
What are the key properties of 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51277216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).