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

C17H18ClN5O3 — CID 42520492

IUPAC5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2cncc(Cl)c2)on1
InChIInChI=1S/C17H18ClN5O3/c1-3-23-5-4-20-16(23)10-22(2)17(24)15-7-14(26-21-15)11-25-13-6-12(18)8-19-9-13/h4-9H,3,10-11H2,1-2H3
InChIKeyQVLXWSDFTYDWKJ-UHFFFAOYSA-N
MW375.82 g/mol
LogP2.79
Rot. Bonds7

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

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 42520492) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID42520492
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1cc(COc2cncc(Cl)c2)on1
InChIInChI=1S/C17H18ClN5O3/c1-3-23-5-4-20-16(23)10-22(2)17(24)15-7-14(26-21-15)11-25-13-6-12(18)8-19-9-13/h4-9H,3,10-11H2,1-2H3
InChIKeyQVLXWSDFTYDWKJ-UHFFFAOYSA-N
XLogP2.79
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 52.79
H-Bond Donors ≤ 50
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-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 42520492) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CCn1ccnc1CN(C)C(=O)c1cc(COc2cncc(Cl)c2)on1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QVLXWSDFTYDWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-3-23-5-4-20-16(23)10-22(2)17(24)15-7-14(26-21-15)11-25-13-6-12(18)8-19-9-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 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-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42520492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).