(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole

C6H9NO2 — CID 123409468

IUPAC(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESCC1=C2NOC[C@@H]2CO1
InChIInChI=1S/C6H9NO2/c1-4-6-5(2-8-4)3-9-7-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyJGIDCHDJYFTMRP-YFKPBYRVSA-N
MW127.14 g/mol
LogP0.40
Rot. Bonds

About (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole

(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole (PubChem CID 123409468) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole
PubChem CID123409468
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESCC1=C2NOC[C@@H]2CO1
InChIInChI=1S/C6H9NO2/c1-4-6-5(2-8-4)3-9-7-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyJGIDCHDJYFTMRP-YFKPBYRVSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130835768
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4-ethyl-1,2-oxazolidin-3-one
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5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
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4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
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3-fluoro-4,5,6-trimethyl-2,3-dihydro-1,4-oxazine
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4,5-dimethyl-1,3-dioxole
CID 13058524
(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one
CID 102298653
benzene;7-methyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
CID 176920775
4-amino-1,2-oxazolidin-3-one
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4-(5-oxoheptan-3-ylideneamino)-1,2-oxazolidin-3-one
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CID 10419365

Frequently Asked Questions

What is the IUPAC name of (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole?
The IUPAC name of (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole (CID 123409468) is (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole?
The canonical SMILES for (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole is CC1=C2NOC[C@@H]2CO1.
What is the InChIKey of (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole?
The InChIKey is JGIDCHDJYFTMRP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-6-5(2-8-4)3-9-7-6/h5,7H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole?
(3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole has a molecular weight of 127.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-6-methyl-1,3,3a,4-tetrahydrofuro[3,4-c][1,2]oxazole is sourced from PubChem (CID 123409468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).