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

C20H26N2O4 — CID 91782854

IUPACN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H26N2O4/c1-13-4-6-16(7-5-13)10-20(23)21-18-8-9-24-12-19(18)25-11-17-14(2)22-26-15(17)3/h4-7,18-19H,8-12H2,1-3H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyKOBDZQRYAMOASS-RTBURBONSA-N
MW358.44 g/mol
LogP2.63
Rot. Bonds6

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

N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide (PubChem CID 91782854) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
PubChem CID91782854
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cc1
InChIInChI=1S/C20H26N2O4/c1-13-4-6-16(7-5-13)10-20(23)21-18-8-9-24-12-19(18)25-11-17-14(2)22-26-15(17)3/h4-7,18-19H,8-12H2,1-3H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyKOBDZQRYAMOASS-RTBURBONSA-N
XLogP2.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
CID 91798363
4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
CID 91793714
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
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]-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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1,4-dithiepan-6-yl)oxan-4-amine
CID 91798218

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide (CID 91782854) is N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cc1.
What is the InChIKey of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is KOBDZQRYAMOASS-RTBURBONSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-4-6-16(7-5-13)10-20(23)21-18-8-9-24-12-19(18)25-11-17-14(2)22-26-15(17)3/h4-7,18-19H,8-12H2,1-3H3,(H,21,23)/t18-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide?
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 91782854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).