4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide

C20H27N3O4 — CID 91793714

IUPAC4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
SMILESCc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O4/c1-13-17(14(2)27-22-13)11-26-19-12-25-10-9-18(19)21-20(24)15-5-7-16(8-6-15)23(3)4/h5-8,18-19H,9-12H2,1-4H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyHJPUIXMOSZTNOX-RTBURBONSA-N
MW373.45 g/mol
LogP2.46
Rot. Bonds6

About 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide

4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide (PubChem CID 91793714) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
PubChem CID91793714
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
SMILESCc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N3O4/c1-13-17(14(2)27-22-13)11-26-19-12-25-10-9-18(19)21-20(24)15-5-7-16(8-6-15)23(3)4/h5-8,18-19H,9-12H2,1-4H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyHJPUIXMOSZTNOX-RTBURBONSA-N
XLogP2.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide with MolForge

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Related Compounds

6-amino-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyridine-3-carboxamide
CID 91772240
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786762
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 91781380
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 91769285
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 91765324
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-propyl-1,2-oxazole-3-carboxamide
CID 91780446
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-oxo-1H-pyrazine-3-carboxamide
CID 91760778
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91778333
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91760952
(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1,4-dithiepan-6-yl)oxan-4-amine
CID 91798218
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
CID 91798363

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide (CID 91793714) is 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide is Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide?
The InChIKey is HJPUIXMOSZTNOX-RTBURBONSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-17(14(2)27-22-13)11-26-19-12-25-10-9-18(19)21-20(24)15-5-7-16(8-6-15)23(3)4/h5-8,18-19H,9-12H2,1-4H3,(H,21,24)/t18-,19-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide?
4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide has a molecular weight of 373.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide is sourced from PubChem (CID 91793714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).