N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C19H23N5O3 — CID 24794143

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(COc3ccc(C)nc3)on2)c1C
InChIInChI=1S/C19H23N5O3/c1-5-24-14(4)17(13(3)22-24)10-21-19(25)18-8-16(27-23-18)11-26-15-7-6-12(2)20-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyLXNQXJACOXDBLZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.72
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24794143) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24794143
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(COc3ccc(C)nc3)on2)c1C
InChIInChI=1S/C19H23N5O3/c1-5-24-14(4)17(13(3)22-24)10-21-19(25)18-8-16(27-23-18)11-26-15-7-6-12(2)20-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyLXNQXJACOXDBLZ-UHFFFAOYSA-N
XLogP2.72
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24794143) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(C)nc3)on2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LXNQXJACOXDBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-5-24-14(4)17(13(3)22-24)10-21-19(25)18-8-16(27-23-18)11-26-15-7-6-12(2)20-9-15/h6-9H,5,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).