N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide

C18H26N6O2 — CID 120859212

IUPACN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(c2nc(C3(N)CCC3)no2)CCCC1
InChIInChI=1S/C18H26N6O2/c1-11-13(12(2)24(3)22-11)14(25)21-18(9-4-5-10-18)16-20-15(23-26-16)17(19)7-6-8-17/h4-10,19H2,1-3H3,(H,21,25)
InChIKeyODJKADPUGDLPHR-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.96
Rot. Bonds4

About N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 120859212) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID120859212
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(c2nc(C3(N)CCC3)no2)CCCC1
InChIInChI=1S/C18H26N6O2/c1-11-13(12(2)24(3)22-11)14(25)21-18(9-4-5-10-18)16-20-15(23-26-16)17(19)7-6-8-17/h4-10,19H2,1-3H3,(H,21,25)
InChIKeyODJKADPUGDLPHR-UHFFFAOYSA-N
XLogP1.96
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 122245475
3,5-Dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
CID 43647272
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 43647281
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984719
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984720
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 52179958
3,5-Dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
CID 54959353
3,5-Dimethyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carbaldehyde
CID 54959930
3-[5-(1,3,5-Trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324877
2-[5-(1,3,5-Trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325691
1-[5-(1,3,5-Trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352507
1-[5-(1,3,5-Trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352719

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 120859212) is N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1(c2nc(C3(N)CCC3)no2)CCCC1.
What is the InChIKey of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is ODJKADPUGDLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11-13(12(2)24(3)22-11)14(25)21-18(9-4-5-10-18)16-20-15(23-26-16)17(19)7-6-8-17/h4-10,19H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 120859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).