3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C13H18N4O2 — CID 86930017

IUPAC3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)nn(C)c2C)on1
InChIInChI=1S/C13H18N4O2/c1-8-7-12(19-16-8)13(18)14-6-5-11-9(2)15-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyIMEYERHNVDGGBU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.31
Rot. Bonds4

About 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 86930017) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID86930017
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2c(C)nn(C)c2C)on1
InChIInChI=1S/C13H18N4O2/c1-8-7-12(19-16-8)13(18)14-6-5-11-9(2)15-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,18)
InChIKeyIMEYERHNVDGGBU-UHFFFAOYSA-N
XLogP1.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 112530111
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 86930017) is 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCc2c(C)nn(C)c2C)on1.
What is the InChIKey of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IMEYERHNVDGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-7-12(19-16-8)13(18)14-6-5-11-9(2)15-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,18).
What are the key properties of 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86930017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).