2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C14H21N5O2 — CID 131903345

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)no1
InChIInChI=1S/C14H21N5O2/c1-5-6-13-15-12(18-21-13)8-19(4)14(20)7-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,16,17)
InChIKeyIXCXSNKMCJFYAQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.56
Rot. Bonds6

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 131903345) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID131903345
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCCCc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)no1
InChIInChI=1S/C14H21N5O2/c1-5-6-13-15-12(18-21-13)8-19(4)14(20)7-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,16,17)
InChIKeyIXCXSNKMCJFYAQ-UHFFFAOYSA-N
XLogP1.56
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S,4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 124050547
N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 29219599
1-({5-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1,2,4-oxadiazol-3-YL}methyl)-4-methylpiperazine
CID 56711321
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 77078989
1-(4-chloro-3-methyl-1H-pyrazol-5-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine
CID 77089507
N-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)ethyl]-3-(4,5-dimethyl-1H-pyrazol-3-YL)propanamide
CID 124210817
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
CID 124213427
N-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 124213755
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125518249
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 132414538
N,5-diethyl-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide
CID 132421033
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 124216892

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 131903345) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CCCc1nc(CN(C)C(=O)Cc2c(C)n[nH]c2C)no1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is IXCXSNKMCJFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-6-13-15-12(18-21-13)8-19(4)14(20)7-11-9(2)16-17-10(11)3/h5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 291.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 131903345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).