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

C13H18ClN5O2 — CID 56872103

IUPAC2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)c1noc(CN(C)C(=O)C(C)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3
InChIKeyZTIXTSAGUJXBRE-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.26
Rot. Bonds5

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

2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 56872103) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID56872103
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C)c1noc(CN(C)C(=O)C(C)n2cc(Cl)cn2)n1
InChIInChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3
InChIKeyZTIXTSAGUJXBRE-UHFFFAOYSA-N
XLogP2.26
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Propyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53592816
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
3-Tert-butyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53613097
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
3-[[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56780528
3-(2-Methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802687
5-Methyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141415
2-(4-Chloropyrazol-1-yl)-2-methyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 72147028
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 53568750
3-Cyclopropyl-5-[1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56780524
3-Cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780775
(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 95352970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 56872103) is 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(C)c1noc(CN(C)C(=O)C(C)n2cc(Cl)cn2)n1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is ZTIXTSAGUJXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-8(2)12-16-11(21-17-12)7-18(4)13(20)9(3)19-6-10(14)5-15-19/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 311.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 56872103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).