(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one

C7H11NO2 — CID 14038106

IUPAC(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC1=N[C@H](C(C)C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-4(2)6-7(9)10-5(3)8-6/h4,6H,1-3H3/t6-/m1/s1
InChIKeyVSYHWTNTZROWMJ-ZCFIWIBFSA-N
MW141.17 g/mol
LogP0.99
Rot. Bonds1

About (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one

(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 14038106) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID14038106
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCC1=N[C@H](C(C)C)C(=O)O1
InChIInChI=1S/C7H11NO2/c1-4(2)6-7(9)10-5(3)8-6/h4,6H,1-3H3/t6-/m1/s1
InChIKeyVSYHWTNTZROWMJ-ZCFIWIBFSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one with MolForge

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Related Compounds

Methyl (S)-(-)-2-Isocyanato-3-methylbutyrate
CID 10397066
2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
Methyl 2-isocyanato-3-methylbutanoate
CID 2769431
5(4H)-Oxazolone, 4-(1-methylethyl)-
CID 10855464
2,4-dimethyl-4H-1,3-oxazol-5-one
CID 11051610
methyl (2S)-3-methyl-2-(methylideneamino)butanoate
CID 15723064
Methyl (2R)-2-isocyanato-3-methylbutanoate
CID 40501124
2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14905591
4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
CID 86159330
(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
CID 131844291
(4S)-2,4-dimethyl-4H-1,3-oxazol-5-one
CID 45086557
2-methyl-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 12483508

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 14038106) is (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one is CC1=N[C@H](C(C)C)C(=O)O1.
What is the InChIKey of (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is VSYHWTNTZROWMJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(2)6-7(9)10-5(3)8-6/h4,6H,1-3H3/t6-/m1/s1.
What are the key properties of (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one?
(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 14038106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).