(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol

C9H15NO2 — CID 101337695

IUPAC(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC(C)[C@H]1OC[C@@H]2CC=C(O)N21
InChIInChI=1S/C9H15NO2/c1-6(2)9-10-7(5-12-9)3-4-8(10)11/h4,6-7,9,11H,3,5H2,1-2H3/t7-,9+/m0/s1
InChIKeyBPSXNDMZLTWTSD-IONNQARKSA-N
MW169.22 g/mol
LogP1.47
Rot. Bonds1

About (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol

(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol (PubChem CID 101337695) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
PubChem CID101337695
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC(C)[C@H]1OC[C@@H]2CC=C(O)N21
InChIInChI=1S/C9H15NO2/c1-6(2)9-10-7(5-12-9)3-4-8(10)11/h4,6-7,9,11H,3,5H2,1-2H3/t7-,9+/m0/s1
InChIKeyBPSXNDMZLTWTSD-IONNQARKSA-N
XLogP1.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-methyl-2,3-di(propan-2-yl)-1,3-oxazolidine
CID 134572943
lithium (3S,7aR)-3-propan-2-yl-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-olate
CID 101337692
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745472
1-(4-propan-2-yl-3,5-dioxa-8-azabicyclo[5.1.0]octan-8-yl)pyrrole-2,5-diol
CID 91058137
dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
CID 68860687
1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol
CID 156563500
3-methyl-2-propan-2-yl-1,3-oxazolidine
CID 3039948
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethylidenevanadium
CID 145149624
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
1-[(2-phenyl-1,3-dioxolan-4-yl)methyl]-3,4-di(propan-2-yl)pyrrole-2,5-diol
CID 123767494
ethane;2-(2-methyl-1,3-dioxan-5-yl)isoindole-1,3-dione
CID 176963407
(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
CID 154922217

Frequently Asked Questions

What is the IUPAC name of (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The IUPAC name of (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol (CID 101337695) is (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol.
What is the SMILES notation for (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The canonical SMILES for (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol is CC(C)[C@H]1OC[C@@H]2CC=C(O)N21.
What is the InChIKey of (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The InChIKey is BPSXNDMZLTWTSD-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)9-10-7(5-12-9)3-4-8(10)11/h4,6-7,9,11H,3,5H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
(3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol has a molecular weight of 169.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7aS)-3-propan-2-yl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol is sourced from PubChem (CID 101337695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).