N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

C20H17N5O3 — CID 74229782

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)cn1
InChIInChI=1S/C20H17N5O3/c1-13-9-23-15(10-22-13)11-24-20(26)19-8-17(28-25-19)12-27-16-4-5-18-14(7-16)3-2-6-21-18/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyKITSPDOPGXNWBF-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.83
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 74229782) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID74229782
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)cn1
InChIInChI=1S/C20H17N5O3/c1-13-9-23-15(10-22-13)11-24-20(26)19-8-17(28-25-19)12-27-16-4-5-18-14(7-16)3-2-6-21-18/h2-10H,11-12H2,1H3,(H,24,26)
InChIKeyKITSPDOPGXNWBF-UHFFFAOYSA-N
XLogP2.83
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
N-[(2R)-1-methoxypropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42460246
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42094150
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42593563
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252294
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 58388068
[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 56757571
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 29182088
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56708025

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 74229782) is N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is Cc1cnc(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KITSPDOPGXNWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-13-9-23-15(10-22-13)11-24-20(26)19-8-17(28-25-19)12-27-16-4-5-18-14(7-16)3-2-6-21-18/h2-10H,11-12H2,1H3,(H,24,26).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74229782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).