methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C8H12FNO3 — CID 167362825

IUPACmethyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(F)CC(C(C)C)=NO1
InChIInChI=1S/C8H12FNO3/c1-5(2)6-4-8(9,13-10-6)7(11)12-3/h5H,4H2,1-3H3
InChIKeyGCWPENXMKLMUHV-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.26
Rot. Bonds2

About methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362825) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362825
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Namemethyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCOC(=O)C1(F)CC(C(C)C)=NO1
InChIInChI=1S/C8H12FNO3/c1-5(2)6-4-8(9,13-10-6)7(11)12-3/h5H,4H2,1-3H3
InChIKeyGCWPENXMKLMUHV-UHFFFAOYSA-N
XLogP1.26
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

Methyl 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 11401186
2,2-difluoropropyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 167362747
2,2-difluoropropyl 5-ethyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362753
ethyl 5-ethyl-4-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362776
2,2,2-trifluoroethyl 5-ethyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362783
Ethyl 3-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 167362784
2-fluoroethyl 3-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 167362785
3,3,3-trifluoropropyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362803
2,2-difluoropropyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362811
ethyl 4-fluoro-5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362812
3-fluoropropyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362822
ethyl 3-tert-butyl-5-(fluoromethyl)-4H-1,2-oxazole-5-carboxylate
CID 167362826

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362825) is methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is COC(=O)C1(F)CC(C(C)C)=NO1.
What is the InChIKey of methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is GCWPENXMKLMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-5(2)6-4-8(9,13-10-6)7(11)12-3/h5H,4H2,1-3H3.
What are the key properties of methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 189.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).