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

C18H26N4O2 — CID 53195347

IUPAC2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CCN(C)C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C18H26N4O2/c1-11-15(12(2)22(5)20-11)9-10-21(4)18(23)16-13(3)24-17(19-16)14-7-6-8-14/h14H,6-10H2,1-5H3
InChIKeyXETDSSNJQPIYIE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.92
Rot. Bonds5

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

2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195347) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID53195347
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CCN(C)C(=O)c1nc(C2CCC2)oc1C
InChIInChI=1S/C18H26N4O2/c1-11-15(12(2)22(5)20-11)9-10-21(4)18(23)16-13(3)24-17(19-16)14-7-6-8-14/h14H,6-10H2,1-5H3
InChIKeyXETDSSNJQPIYIE-UHFFFAOYSA-N
XLogP2.92
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 53195347) is 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is Cc1nn(C)c(C)c1CCN(C)C(=O)c1nc(C2CCC2)oc1C.
What is the InChIKey of 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is XETDSSNJQPIYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-15(12(2)22(5)20-11)9-10-21(4)18(23)16-13(3)24-17(19-16)14-7-6-8-14/h14H,6-10H2,1-5H3.
What are the key properties of 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).