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

C18H20ClN5O3 — CID 24791808

IUPAC5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(COc3cncc(Cl)c3)on2)c1C
InChIInChI=1S/C18H20ClN5O3/c1-4-24-12(3)16(11(2)22-24)9-21-18(25)17-6-15(27-23-17)10-26-14-5-13(19)7-20-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,25)
InChIKeyLDLVTEAHAXPPFY-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.07
Rot. Bonds7

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

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791808) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791808
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(COc3cncc(Cl)c3)on2)c1C
InChIInChI=1S/C18H20ClN5O3/c1-4-24-12(3)16(11(2)22-24)9-21-18(25)17-6-15(27-23-17)10-26-14-5-13(19)7-20-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,25)
InChIKeyLDLVTEAHAXPPFY-UHFFFAOYSA-N
XLogP3.07
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791808) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is CCn1nc(C)c(CNC(=O)c2cc(COc3cncc(Cl)c3)on2)c1C.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LDLVTEAHAXPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-4-24-12(3)16(11(2)22-24)9-21-18(25)17-6-15(27-23-17)10-26-14-5-13(19)7-20-8-14/h5-8H,4,9-10H2,1-3H3,(H,21,25).
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).