2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

C12H16ClN5O3 — CID 91783732

IUPAC2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCOCCc1nc(CNC(=O)C(C)n2cc(Cl)cn2)no1
InChIInChI=1S/C12H16ClN5O3/c1-8(18-7-9(13)5-15-18)12(19)14-6-10-16-11(21-17-10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,14,19)
InChIKeyCVBJIYMTXOHRHV-UHFFFAOYSA-N
MW313.75 g/mol
LogP0.99
Rot. Bonds7

About 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 91783732) has the molecular formula C12H16ClN5O3 and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID91783732
Molecular FormulaC12H16ClN5O3
Molecular Weight313.75 g/mol
Exact Mass313.09
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCOCCc1nc(CNC(=O)C(C)n2cc(Cl)cn2)no1
InChIInChI=1S/C12H16ClN5O3/c1-8(18-7-9(13)5-15-18)12(19)14-6-10-16-11(21-17-10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,14,19)
InChIKeyCVBJIYMTXOHRHV-UHFFFAOYSA-N
XLogP0.99
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide with MolForge

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Related Compounds

(2S)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126427659
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N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131950712
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
(3R)-1-tert-butyl-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97132355
2-(4-chloropyrazol-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]propanamide
CID 50968196
3-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]imidazole-4-carboxamide
CID 118775391
2-(4-chloropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19538530
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91759697
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 90647882
3-(4-chloropyrazol-1-yl)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 91783732) is 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is COCCc1nc(CNC(=O)C(C)n2cc(Cl)cn2)no1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is CVBJIYMTXOHRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O3/c1-8(18-7-9(13)5-15-18)12(19)14-6-10-16-11(21-17-10)3-4-20-2/h5,7-8H,3-4,6H2,1-2H3,(H,14,19).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 313.75 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 91783732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).