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

C15H18N6O3 — CID 46968641

IUPAC5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(-c3cnn(CC)c3C)on2)no1
InChIInChI=1S/C15H18N6O3/c1-4-14-18-13(20-24-14)8-16-15(22)11-6-12(23-19-11)10-7-17-21(5-2)9(10)3/h6-7H,4-5,8H2,1-3H3,(H,16,22)
InChIKeyNPHOWVWFBZZQDW-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.74
Rot. Bonds6

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

5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46968641) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46968641
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCc1nc(CNC(=O)c2cc(-c3cnn(CC)c3C)on2)no1
InChIInChI=1S/C15H18N6O3/c1-4-14-18-13(20-24-14)8-16-15(22)11-6-12(23-19-11)10-7-17-21(5-2)9(10)3/h6-7H,4-5,8H2,1-3H3,(H,16,22)
InChIKeyNPHOWVWFBZZQDW-UHFFFAOYSA-N
XLogP1.74
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 7017793
ethyl 2-[[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 17024990
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 3480488
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(4-fluorophenyl)propyl]triazole-4-carboxamide
CID 46968768
N-[(1-ethylpyrazol-3-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19581507
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4865305
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19340410
5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 46957710
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19581349
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 46968641) is 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCc1nc(CNC(=O)c2cc(-c3cnn(CC)c3C)on2)no1.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NPHOWVWFBZZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-4-14-18-13(20-24-14)8-16-15(22)11-6-12(23-19-11)10-7-17-21(5-2)9(10)3/h6-7H,4-5,8H2,1-3H3,(H,16,22).
What are the key properties of 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46968641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).