3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole

C9H13NO2 — CID 101055018

IUPAC3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole
SMILESCC(C)(C)C1=NOC2C=COC12
InChIInChI=1S/C9H13NO2/c1-9(2,3)8-7-6(12-10-8)4-5-11-7/h4-7H,1-3H3
InChIKeyJEXSGZGLDVTOOL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.70
Rot. Bonds

About 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole

3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole (PubChem CID 101055018) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole.

Molecular Properties

Compound Name3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole
PubChem CID101055018
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole
SMILESCC(C)(C)C1=NOC2C=COC12
InChIInChI=1S/C9H13NO2/c1-9(2,3)8-7-6(12-10-8)4-5-11-7/h4-7H,1-3H3
InChIKeyJEXSGZGLDVTOOL-UHFFFAOYSA-N
XLogP1.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-ol
CID 131133865
ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
CID 13033998
benzene;2,6-dioxabicyclo[3.1.0]hex-3-ene
CID 174838408
(4S)-3-tert-butyl-4-methyl-4H-1,2-oxazol-5-one
CID 98089092
N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]-N-methylbenzamide
CID 14688646
1-(3a,7a-dihydro-1,2-benzoxazol-3-yl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 89029903
3-[(2S,3S)-3-methyl-2,3-dihydrofuran-2-yl]pyridine
CID 11105660
3a,7a-dihydro-1-benzofuran-4,7-diamine
CID 129147829
4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
CID 166071163
N-[(3aS,6S,6aR)-3-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-6-yl]acetamide
CID 14688705
6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine
CID 172518020
2,7-ditert-butyl-4,5-dimethyl-4H-thiepin-1-ium
CID 71329196

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole?
The IUPAC name of 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole (CID 101055018) is 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole.
What is the SMILES notation for 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole?
The canonical SMILES for 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole is CC(C)(C)C1=NOC2C=COC12.
What is the InChIKey of 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole?
The InChIKey is JEXSGZGLDVTOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,3)8-7-6(12-10-8)4-5-11-7/h4-7H,1-3H3.
What are the key properties of 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole?
3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole has a molecular weight of 167.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3a,6a-dihydrofuro[2,3-d][1,2]oxazole is sourced from PubChem (CID 101055018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).