N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide

C12H16N4O2 — CID 112529920

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2c(C)n[nH]c2C)o1
InChIInChI=1S/C12H16N4O2/c1-7-6-14-12(18-7)11(17)13-5-4-10-8(2)15-16-9(10)3/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLXVCYMNJTADZRT-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.30
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 112529920) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID112529920
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCc2c(C)n[nH]c2C)o1
InChIInChI=1S/C12H16N4O2/c1-7-6-14-12(18-7)11(17)13-5-4-10-8(2)15-16-9(10)3/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyLXVCYMNJTADZRT-UHFFFAOYSA-N
XLogP1.30
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
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4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835178
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
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CID 110747748
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylsulfonylthiophene-2-carboxamide
CID 138035987
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131936437
2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 155962112

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide (CID 112529920) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NCCc2c(C)n[nH]c2C)o1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is LXVCYMNJTADZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-6-14-12(18-7)11(17)13-5-4-10-8(2)15-16-9(10)3/h6H,4-5H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 112529920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).