N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide

C16H25N3O4 — CID 139001510

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2ncoc2C2CCCO2)CCOCC1
InChIInChI=1S/C16H25N3O4/c1-19(2)16(5-8-21-9-6-16)10-17-15(20)13-14(23-11-18-13)12-4-3-7-22-12/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyGFVDJOTWQTZHOC-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.37
Rot. Bonds5

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 139001510) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID139001510
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2ncoc2C2CCCO2)CCOCC1
InChIInChI=1S/C16H25N3O4/c1-19(2)16(5-8-21-9-6-16)10-17-15(20)13-14(23-11-18-13)12-4-3-7-22-12/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyGFVDJOTWQTZHOC-UHFFFAOYSA-N
XLogP1.37
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 100899008
N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 96551183
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 129434925
N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 124856947
5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 124737099
3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125147615
(2S)-2-benzyl-3-[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 125152186
2-benzyl-3-[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119233820
2-[[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245130
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125153535
5-(oxolan-2-yl)-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
CID 102561331

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide (CID 139001510) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide is CN(C)C1(CNC(=O)c2ncoc2C2CCCO2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is GFVDJOTWQTZHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-19(2)16(5-8-21-9-6-16)10-17-15(20)13-14(23-11-18-13)12-4-3-7-22-12/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139001510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).