(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate

C15H25NO4 — CID 139842715

IUPAC(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1CCC(OC(=O)N2CC(C)OC2=O)(C(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-10(2)15(7-5-11(3)6-8-15)20-14(18)16-9-12(4)19-13(16)17/h10-12H,5-9H2,1-4H3
InChIKeyADETWAWJJGHYFY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds2

About (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate

(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 139842715) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID139842715
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC1CCC(OC(=O)N2CC(C)OC2=O)(C(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-10(2)15(7-5-11(3)6-8-15)20-14(18)16-9-12(4)19-13(16)17/h10-12H,5-9H2,1-4H3
InChIKeyADETWAWJJGHYFY-UHFFFAOYSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Dimethylamino)ethyl 7,8-dimethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 200021
2-(Dimethylamino)ethyl 8-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212337
2-(Dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 3055078
2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 3055080
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352689
3-Methyl-8-propan-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 176864723
1-(Dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 21153112
2-(Dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 21153114
2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 90475533
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352688
3-[(4-Ethyl-1-hydroxycyclohexyl)methyl]-1,3-oxazolidin-2-one
CID 104550030

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate (CID 139842715) is (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate is CC1CCC(OC(=O)N2CC(C)OC2=O)(C(C)C)CC1.
What is the InChIKey of (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is ADETWAWJJGHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)15(7-5-11(3)6-8-15)20-14(18)16-9-12(4)19-13(16)17/h10-12H,5-9H2,1-4H3.
What are the key properties of (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?
(4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-propan-2-ylcyclohexyl) 5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139842715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).