2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine

C12H20N2O — CID 144812595

IUPAC2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine
SMILESCc1nc2c(o1)C(C)(C(C)C)CCNC2
InChIInChI=1S/C12H20N2O/c1-8(2)12(4)5-6-13-7-10-11(12)15-9(3)14-10/h8,13H,5-7H2,1-4H3
InChIKeyYURZBCJFSKLRDX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.39
Rot. Bonds1

About 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine

2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine (PubChem CID 144812595) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine.

Molecular Properties

Compound Name2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine
PubChem CID144812595
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine
SMILESCc1nc2c(o1)C(C)(C(C)C)CCNC2
InChIInChI=1S/C12H20N2O/c1-8(2)12(4)5-6-13-7-10-11(12)15-9(3)14-10/h8,13H,5-7H2,1-4H3
InChIKeyYURZBCJFSKLRDX-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine with MolForge

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Related Compounds

2-Methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepin-4-one
CID 10725722
2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
CID 130943811
5,6,7,8-Tetrahydro-2,7,7-trimethyl-4H-oxazolo[4,5-c]azepin-4-one
CID 10655430
2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepine-4-thione
CID 10656085
2-Methyl-5,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine-4-thione
CID 10726118
2,4-Dimethyl-5-piperidin-4-yl-1,3-oxazole
CID 82408853
2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
CID 84657569
2-tert-butyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
CID 84665660
2-tert-butyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
CID 135182613
2,8,8-Trimethyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine
CID 144812682
Ethane;2,8,8-trimethyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine
CID 144812688
N,5-dimethyl-4,6,7,8-tetrahydro-[1,3]oxazolo[4,5-c]azepine-2-carboxamide;ethane
CID 172279220

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The IUPAC name of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine (CID 144812595) is 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine.
What is the SMILES notation for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The canonical SMILES for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine is Cc1nc2c(o1)C(C)(C(C)C)CCNC2.
What is the InChIKey of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
The InChIKey is YURZBCJFSKLRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12(4)5-6-13-7-10-11(12)15-9(3)14-10/h8,13H,5-7H2,1-4H3.
What are the key properties of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine?
2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine has a molecular weight of 208.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]azepine is sourced from PubChem (CID 144812595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).