N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H25N5O2 — CID 118773251

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CCc1noc(C2CC2)n1
InChIInChI=1S/C17H25N5O2/c1-11-14(12(2)22(4)19-11)7-8-16(23)21(3)10-9-15-18-17(24-20-15)13-5-6-13/h13H,5-10H2,1-4H3
InChIKeyMILBMAMMWKHKJT-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 118773251) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID118773251
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N(C)CCc1noc(C2CC2)n1
InChIInChI=1S/C17H25N5O2/c1-11-14(12(2)22(4)19-11)7-8-16(23)21(3)10-9-15-18-17(24-20-15)13-5-6-13/h13H,5-10H2,1-4H3
InChIKeyMILBMAMMWKHKJT-UHFFFAOYSA-N
XLogP1.93
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
3-Cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780714
3-[[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 72141571
5-Cyclopropyl-3-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141636
1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53192209
(3-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 86265892
1-[2-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 87052120
1-[2-(4-Propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 87052141
1-(3-{[5-(Oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidin-1-YL)-3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propan-1-one
CID 91905856
N-{3-Cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL}-3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propanamide
CID 91910749
1-[2-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 91911328
1-{3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrrolidinyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
CID 91915846

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 118773251) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N(C)CCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is MILBMAMMWKHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-14(12(2)22(4)19-11)7-8-16(23)21(3)10-9-15-18-17(24-20-15)13-5-6-13/h13H,5-10H2,1-4H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 118773251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).