N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine

C11H17N5O — CID 75498183

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCCn1nc(C)c(CNc2nc(C)no2)c1C
InChIInChI=1S/C11H17N5O/c1-5-16-8(3)10(7(2)14-16)6-12-11-13-9(4)15-17-11/h5-6H2,1-4H3,(H,12,13,15)
InChIKeyMUOJMCDKENTFOA-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 75498183) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID75498183
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCCn1nc(C)c(CNc2nc(C)no2)c1C
InChIInChI=1S/C11H17N5O/c1-5-16-8(3)10(7(2)14-16)6-12-11-13-9(4)15-17-11/h5-6H2,1-4H3,(H,12,13,15)
InChIKeyMUOJMCDKENTFOA-UHFFFAOYSA-N
XLogP1.82
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 56865182
1-butyl-3-methyl-5-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-1,2,4-triazole
CID 72892564
(1R)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098990
4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-N-[2-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 124216938
[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 43559996
2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 71914308
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 75477490
N-methyl-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 90652311
(1S)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098989
(1R)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 97353389
(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 97353390
2-[5-[[[2,2,2-Trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 167950008

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 75498183) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is CCn1nc(C)c(CNc2nc(C)no2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is MUOJMCDKENTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-16-8(3)10(7(2)14-16)6-12-11-13-9(4)15-17-11/h5-6H2,1-4H3,(H,12,13,15).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 235.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75498183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).