(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

C7H13NO — CID 163917429

IUPAC(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC[C@H]1OC[C@H]2CCCN21
InChIInChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyQXLYYGOGOCKYNK-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

About (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole

(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (PubChem CID 163917429) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
PubChem CID163917429
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
SMILESC[C@H]1OC[C@H]2CCCN21
InChIInChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyQXLYYGOGOCKYNK-RNFRBKRXSA-N
XLogP0.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxapyrrolizidine
CID 59165013
(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141392307
(6S,7aS)-6-fluoro-6-(fluoromethyl)-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470038
1-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 174851567
2alpha-(Trifluoromethyl)-3,4beta-propanooxazolidine
CID 101130581
(7aS)-3-(trifluoromethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole
CID 101417766
(7aS)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 154359490
Tetrahydro-pyrrolo[1,2-c]oxazole-3-thione
CID 588541
5-Methyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 10725360
(7aS)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-5-thione
CID 102140395
7a-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 12730631
(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 58095394

Frequently Asked Questions

What is the IUPAC name of (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole (CID 163917429) is (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is C[C@H]1OC[C@H]2CCCN21.
What is the InChIKey of (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
The InChIKey is QXLYYGOGOCKYNK-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-8-4-2-3-7(8)5-9-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole?
(3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aR)-3-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 163917429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).