tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate

C12H18N2O3 — CID 154631016

IUPACtert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
SMILESC[C@H]1Cc2nocc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-10-9(7-16-13-10)6-14(8)11(15)17-12(2,3)4/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWIDOEZIALYLUEW-QMMMGPOBSA-N
MW238.29 g/mol
LogP2.36
Rot. Bonds

About tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate

tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 154631016) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
PubChem CID154631016
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
SMILESC[C@H]1Cc2nocc2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H18N2O3/c1-8-5-10-9(7-16-13-10)6-14(8)11(15)17-12(2,3)4/h7-8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyWIDOEZIALYLUEW-QMMMGPOBSA-N
XLogP2.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate with MolForge

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Related Compounds

6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 155123943
tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 102132128
tert-butyl (6S)-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 155131416
1-[(6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone
CID 159512532
tert-butyl 3,6-dimethyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;ethane
CID 176669163
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 153373718
tert-butyl 3-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CID 118230392
tert-butyl (5S)-2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 175916600
tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 168837754
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
CID 152995833
tert-butyl (3R)-8-fluoro-3-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
CID 95757300

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate (CID 154631016) is tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate is C[C@H]1Cc2nocc2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is WIDOEZIALYLUEW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-5-10-9(7-16-13-10)6-14(8)11(15)17-12(2,3)4/h7-8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 154631016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).