N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide

C16H16N4O2 — CID 155801056

IUPACN-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
SMILESCn1nccc1-c1ccc(CCNC(=O)c2ccno2)cc1
InChIInChI=1S/C16H16N4O2/c1-20-14(7-10-18-20)13-4-2-12(3-5-13)6-9-17-16(21)15-8-11-19-22-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21)
InChIKeyWDDIHESOKSJUOZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.05
Rot. Bonds5

About N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide

N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 155801056) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
PubChem CID155801056
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
SMILESCn1nccc1-c1ccc(CCNC(=O)c2ccno2)cc1
InChIInChI=1S/C16H16N4O2/c1-20-14(7-10-18-20)13-4-2-12(3-5-13)6-9-17-16(21)15-8-11-19-22-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21)
InChIKeyWDDIHESOKSJUOZ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 110693584
1-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-3-thiophen-2-ylurea
CID 155801216
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 62659482
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide
CID 62268259
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
(2R)-4-[4-(2-methylpyrazol-3-yl)phenyl]butan-2-amine
CID 125424019
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,2-oxazole-5-carboxamide
CID 77098246
methyl (2S)-2-amino-3-[4-(2-methylpyrazol-3-yl)phenyl]propanoate;dihydrochloride
CID 66719717
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 119101234
2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone
CID 123817461

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide (CID 155801056) is N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide is Cn1nccc1-c1ccc(CCNC(=O)c2ccno2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WDDIHESOKSJUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20-14(7-10-18-20)13-4-2-12(3-5-13)6-9-17-16(21)15-8-11-19-22-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21).
What are the key properties of N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide?
N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).