5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide

C16H26N6O2 — CID 56875082

IUPAC5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN(C)C(=O)c1nnc(CN(C)C)o1
InChIInChI=1S/C16H26N6O2/c1-10(2)22-12(4)13(11(3)19-22)8-21(7)16(23)15-18-17-14(24-15)9-20(5)6/h10H,8-9H2,1-7H3
InChIKeyODAWYVFJRSXXIS-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.80
Rot. Bonds6

About 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide

5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56875082) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID56875082
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1CN(C)C(=O)c1nnc(CN(C)C)o1
InChIInChI=1S/C16H26N6O2/c1-10(2)22-12(4)13(11(3)19-22)8-21(7)16(23)15-18-17-14(24-15)9-20(5)6/h10H,8-9H2,1-7H3
InChIKeyODAWYVFJRSXXIS-UHFFFAOYSA-N
XLogP1.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
CID 97899844
(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124754599
[1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647573
[3,5-Dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine
CID 43647574
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647706
1-[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 43647707
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43647819
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647820
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43647917
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 43647918
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43648012
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648013

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide (CID 56875082) is 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1nnc(CN(C)C)o1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ODAWYVFJRSXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-10(2)22-12(4)13(11(3)19-22)8-21(7)16(23)15-18-17-14(24-15)9-20(5)6/h10H,8-9H2,1-7H3.
What are the key properties of 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide?
5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56875082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).