N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

C17H22N4O3 — CID 96551183

IUPACN-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-21(4-2)14-8-7-12(10-18-14)20-17(22)15-16(24-11-19-15)13-6-5-9-23-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyXPLCWCWRMOOLON-CYBMUJFWSA-N
MW330.39 g/mol
LogP3.02
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 96551183) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID96551183
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cn1
InChIInChI=1S/C17H22N4O3/c1-3-21(4-2)14-8-7-12(10-18-14)20-17(22)15-16(24-11-19-15)13-6-5-9-23-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyXPLCWCWRMOOLON-CYBMUJFWSA-N
XLogP3.02
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
5-(oxolan-2-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 102561331
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55784217
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 139001510
N-[6-(dimethylamino)-3-pyridinyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932973
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 111386281
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
CID 51082122
1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
CID 53499400
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 129434925
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide (CID 96551183) is N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2ncoc2[C@H]2CCCO2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is XPLCWCWRMOOLON-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-21(4-2)14-8-7-12(10-18-14)20-17(22)15-16(24-11-19-15)13-6-5-9-23-13/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 96551183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).