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

C14H21N5O2 — CID 56865182

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1noc(CN(C)C(=O)CCn2nc(C)c(C)c2C)n1
InChIInChI=1S/C14H21N5O2/c1-9-10(2)16-19(11(9)3)7-6-14(20)18(5)8-13-15-12(4)17-21-13/h6-8H2,1-5H3
InChIKeyQERVIXTUEIRTDP-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.55
Rot. Bonds5

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

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 56865182) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID56865182
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1noc(CN(C)C(=O)CCn2nc(C)c(C)c2C)n1
InChIInChI=1S/C14H21N5O2/c1-9-10(2)16-19(11(9)3)7-6-14(20)18(5)8-13-15-12(4)17-21-13/h6-8H2,1-5H3
InChIKeyQERVIXTUEIRTDP-UHFFFAOYSA-N
XLogP1.55
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.55
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
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52104845
1-[4-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 56728003
3-Cyclopropyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780714
3-(2-Methoxyethyl)-5-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780730
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818682
2-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 72149391
5-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 75420297
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 75498183
(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
2-(4-{[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)ethanol
CID 109931839
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 56865182) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1noc(CN(C)C(=O)CCn2nc(C)c(C)c2C)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is QERVIXTUEIRTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9-10(2)16-19(11(9)3)7-6-14(20)18(5)8-13-15-12(4)17-21-13/h6-8H2,1-5H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 291.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 56865182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).