N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide

C18H21N5O3 — CID 135098669

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)CCCn3cccn3)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-22(17(24)5-3-11-23-12-4-10-19-23)13-16-20-18(21-26-16)14-6-8-15(25-2)9-7-14/h4,6-10,12H,3,5,11,13H2,1-2H3
InChIKeyXYGZDTPWUZWMFI-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.38
Rot. Bonds8

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide (PubChem CID 135098669) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
PubChem CID135098669
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCOc1ccc(-c2noc(CN(C)C(=O)CCCn3cccn3)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-22(17(24)5-3-11-23-12-4-10-19-23)13-16-20-18(21-26-16)14-6-8-15(25-2)9-7-14/h4,6-10,12H,3,5,11,13H2,1-2H3
InChIKeyXYGZDTPWUZWMFI-UHFFFAOYSA-N
XLogP2.38
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 51652307
3-(2,6-dichlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604609
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 86908909
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 8836183
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3,4-trimethylbenzamide
CID 6463798
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 100754342
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
CID 119653875

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide (CID 135098669) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide is COc1ccc(-c2noc(CN(C)C(=O)CCCn3cccn3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The InChIKey is XYGZDTPWUZWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22(17(24)5-3-11-23-12-4-10-19-23)13-16-20-18(21-26-16)14-6-8-15(25-2)9-7-14/h4,6-10,12H,3,5,11,13H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide has a molecular weight of 355.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 135098669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).