5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole

C14H20N2O2 — CID 155315514

IUPAC5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
SMILESCOc1ccc(CN2CC3CONC3(C)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-14-10-16(8-12(14)9-18-15-14)7-11-3-5-13(17-2)6-4-11/h3-6,12,15H,7-10H2,1-2H3
InChIKeyJRYJSAIBFMLTJG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole

5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 155315514) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID155315514
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
SMILESCOc1ccc(CN2CC3CONC3(C)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-14-10-16(8-12(14)9-18-15-14)7-11-3-5-13(17-2)6-4-11/h3-6,12,15H,7-10H2,1-2H3
InChIKeyJRYJSAIBFMLTJG-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
9,9-difluoro-3-[(4-methoxyphenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 129276124
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
CID 102434786
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
(3aR,6aS)-5-benzyl-6a-(5-bromo-2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole
CID 122462083
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
6a-(3-bromophenyl)-5-[(2,4-dimethoxyphenyl)methyl]-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 76576776
1-[(9aR)-2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-3-phenylpropan-1-one
CID 124873323

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole (CID 155315514) is 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole is COc1ccc(CN2CC3CONC3(C)C2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is JRYJSAIBFMLTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14-10-16(8-12(14)9-18-15-14)7-11-3-5-13(17-2)6-4-11/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole?
5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 248.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 155315514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).