4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide

C19H23N5O2 — CID 167186132

IUPAC4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)c3c(C)cnn3C(C)C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-11(2)24-16(13(4)10-20-24)18(25)21-14(5)19-22-17(23-26-19)15-8-6-7-12(3)9-15/h6-11,14H,1-5H3,(H,21,25)
InChIKeyGJQRUYIUDDQWES-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.62
Rot. Bonds5

About 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide

4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 167186132) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID167186132
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-c2noc(C(C)NC(=O)c3c(C)cnn3C(C)C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-11(2)24-16(13(4)10-20-24)18(25)21-14(5)19-22-17(23-26-19)15-8-6-7-12(3)9-15/h6-11,14H,1-5H3,(H,21,25)
InChIKeyGJQRUYIUDDQWES-UHFFFAOYSA-N
XLogP3.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 7449663
3-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 83286620
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92614635
9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92614316
3-ethyl-1-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 167186137
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide
CID 83286859
4-(4-hydroxybutyl)-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
CID 125436245
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561813
3-methyl-N-[1-[3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166382841
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide (CID 167186132) is 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide is Cc1cccc(-c2noc(C(C)NC(=O)c3c(C)cnn3C(C)C)n2)c1.
What is the InChIKey of 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is GJQRUYIUDDQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11(2)24-16(13(4)10-20-24)18(25)21-14(5)19-22-17(23-26-19)15-8-6-7-12(3)9-15/h6-11,14H,1-5H3,(H,21,25).
What are the key properties of 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide?
4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 167186132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).