2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one

C10H17NO2 — CID 14905591

IUPAC2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C10H17NO2/c1-6(2)7-8(12)13-9(11-7)10(3,4)5/h6-7H,1-5H3
InChIKeyLNALBYCUWHSNMR-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.01
Rot. Bonds1

About 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one

2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 14905591) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID14905591
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC(C)C1N=C(C(C)(C)C)OC1=O
InChIInChI=1S/C10H17NO2/c1-6(2)7-8(12)13-9(11-7)10(3,4)5/h6-7H,1-5H3
InChIKeyLNALBYCUWHSNMR-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
tert-butyl (2R)-2-isocyanato-3-methylbutanoate
CID 86635551
2-tert-butyl-4-methyl-4H-1,3-oxazol-5-one
CID 12246766
sodium (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoate
CID 134892439
4-Ethyl-4-methyl-2-propan-2-yl-1,3-oxazol-5-one
CID 19803336
2-[(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881965
2-[2-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19881980
tert-butyl (2S)-2-isocyanato-3-methylbutanoate
CID 42612269
2-[1-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)ethyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 53983662
Tert-butyl 2-isocyanato-3-methylbutanoate
CID 58110439
Methyl 3-methyl-2-(2-methylpropylideneamino)butanoate
CID 85106742
Butyl 2-isocyanato-3-methylbutanoate
CID 89171487

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 14905591) is 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(C(C)(C)C)OC1=O.
What is the InChIKey of 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is LNALBYCUWHSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(2)7-8(12)13-9(11-7)10(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 14905591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).