5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one

C10H17NO3 — CID 105452159

IUPAC5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
SMILESCC(=O)CN1OC(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO3/c1-7(12)6-11-9(13)5-8(14-11)10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyNXXDYWDRYVNQOJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.15
Rot. Bonds2

About 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one

5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one (PubChem CID 105452159) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
PubChem CID105452159
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
SMILESCC(=O)CN1OC(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO3/c1-7(12)6-11-9(13)5-8(14-11)10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyNXXDYWDRYVNQOJ-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminobutyl)-5-tert-butyl-1,2-oxazolidin-3-one
CID 105467976
5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105434050
methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid
CID 59102717
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
2-(3-aminophenyl)-5-tert-butyl-1,2-oxazolidin-3-one
CID 105494586
1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418662
N-[(3R)-2,5-dioxo-1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 161407996
5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105440083
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
5-cyclopentyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105464238
tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 162131935

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one?
The IUPAC name of 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one (CID 105452159) is 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one is CC(=O)CN1OC(C(C)(C)C)CC1=O.
What is the InChIKey of 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one?
The InChIKey is NXXDYWDRYVNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)6-11-9(13)5-8(14-11)10(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one?
5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one has a molecular weight of 199.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 105452159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).