1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide

C17H19N5O2 — CID 95156422

IUPAC1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H19N5O2/c1-11(2)14(19-16(23)13-9-18-22(3)10-13)17-20-15(21-24-17)12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyUZCGVFLEUBFFQT-CQSZACIVSA-N
MW325.37 g/mol
LogP2.60
Rot. Bonds5

About 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide

1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide (PubChem CID 95156422) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
PubChem CID95156422
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H19N5O2/c1-11(2)14(19-16(23)13-9-18-22(3)10-13)17-20-15(21-24-17)12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyUZCGVFLEUBFFQT-CQSZACIVSA-N
XLogP2.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 172898229
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-chlorobenzamide
CID 98234867
6-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 51126130
2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 56509929
2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-methylsulfanylbenzamide
CID 47078876
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide (CID 95156422) is 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide is CC(C)[C@@H](NC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is UZCGVFLEUBFFQT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(2)14(19-16(23)13-9-18-22(3)10-13)17-20-15(21-24-17)12-7-5-4-6-8-12/h4-11,14H,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide?
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95156422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).