tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate

C10H16BrNO3 — CID 172993096

IUPACtert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCC1=C(Br)OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16BrNO3/c1-7-8(11)14-6-5-12(7)9(13)15-10(2,3)4/h5-6H2,1-4H3
InChIKeyWUYQCCGBKGSJAA-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.84
Rot. Bonds

About tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate

tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate (PubChem CID 172993096) has the molecular formula C10H16BrNO3 and a molecular weight of 278.15 g/mol. Its IUPAC name is tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
PubChem CID172993096
Molecular FormulaC10H16BrNO3
Molecular Weight278.15 g/mol
Exact Mass277.03
IUPAC Nametert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate
SMILESCC1=C(Br)OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16BrNO3/c1-7-8(11)14-6-5-12(7)9(13)15-10(2,3)4/h5-6H2,1-4H3
InChIKeyWUYQCCGBKGSJAA-UHFFFAOYSA-N
XLogP2.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-bromo-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 83773515
tert-butyl 7-bromo-8-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 177197850
tert-butyl 4-(hydroxymethyl)-5-methyl-2,3-dihydropyrrole-1-carboxylate
CID 132527370
tert-butyl 2,4-dichloro-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
CID 142478107
tert-butyl 3-formyl-2-methyl-5,6-dihydropyrazolo[3,4-b][1,4]oxazine-4-carboxylate
CID 178201145
tert-butyl 6-(2-bromoacetyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 164842732
tert-butyl 6-amino-8-chloro-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 59261180
tert-butyl 7-iodo-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
CID 46737977
tert-butyl 7-amino-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxylate
CID 171618611
3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-azete-4-carboxylic acid
CID 167718053
tert-butyl 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 177362562
tert-butyl 6-cyano-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 117046424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The IUPAC name of tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate (CID 172993096) is tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate is CC1=C(Br)OCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
The InChIKey is WUYQCCGBKGSJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3/c1-7-8(11)14-6-5-12(7)9(13)15-10(2,3)4/h5-6H2,1-4H3.
What are the key properties of tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate?
tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate has a molecular weight of 278.15 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-5-methyl-2,3-dihydro-1,4-oxazine-4-carboxylate is sourced from PubChem (CID 172993096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).