(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole

C14H19NO2 — CID 10014213

IUPAC(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole
SMILESC[C@@H]1C[C@H]2CON(Cc3ccccc3)[C@H]2CO1
InChIInChI=1S/C14H19NO2/c1-11-7-13-9-17-15(14(13)10-16-11)8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1
InChIKeySPCRXJHHSRTGTH-XBFCOCLRSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds2

About (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole

(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole (PubChem CID 10014213) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole
PubChem CID10014213
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole
SMILESC[C@@H]1C[C@H]2CON(Cc3ccccc3)[C@H]2CO1
InChIInChI=1S/C14H19NO2/c1-11-7-13-9-17-15(14(13)10-16-11)8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1
InChIKeySPCRXJHHSRTGTH-XBFCOCLRSA-N
XLogP2.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazole-5-carboxylic acid
CID 146458152
benzyl 3-[(3aR,6R,7aS)-6-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-1-yl]propanoate
CID 15093917
(3aS,6R,6aR)-1-benzyl-6-phenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
CID 10779068
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108
[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
CID 10671554
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
1,1'-biphenyl;2-methyloxirane
CID 87315109
(3'aR,7'aR)-1'-benzyl-2,2-dimethylspiro[1,3-dioxolane-4,4'-3a,5,7,7a-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole]
CID 100995632
6-benzyl-3,3,4-trimethyl-2,7-dioxa-6-azabicyclo[3.2.1]octane
CID 85239567
1-(4-benzyl-6-methylmorpholin-3-yl)ethanol
CID 123352887

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole?
The IUPAC name of (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole (CID 10014213) is (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole?
The canonical SMILES for (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole is C[C@@H]1C[C@H]2CON(Cc3ccccc3)[C@H]2CO1.
What is the InChIKey of (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole?
The InChIKey is SPCRXJHHSRTGTH-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-13-9-17-15(14(13)10-16-11)8-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14+/m1/s1.
What are the key properties of (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole?
(3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole has a molecular weight of 233.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-1-benzyl-5-methyl-3,3a,4,5,7,7a-hexahydropyrano[3,4-c][1,2]oxazole is sourced from PubChem (CID 10014213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).