ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate

C10H13F2NO3 — CID 103199077

IUPACethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)C)nc1C(F)F
InChIInChI=1S/C10H13F2NO3/c1-4-15-10(14)7-6(8(11)12)13-9(16-7)5(2)3/h5,8H,4H2,1-3H3
InChIKeyBAZKFHNRDHDQFN-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.91
Rot. Bonds4

About ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate

ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate (PubChem CID 103199077) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
PubChem CID103199077
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Nameethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(C(C)C)nc1C(F)F
InChIInChI=1S/C10H13F2NO3/c1-4-15-10(14)7-6(8(11)12)13-9(16-7)5(2)3/h5,8H,4H2,1-3H3
InChIKeyBAZKFHNRDHDQFN-UHFFFAOYSA-N
XLogP2.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-acetyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 169163089
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
CID 103199167
ethyl 2-(3-bromo-5-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199161
ethyl 2-tert-butyl-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371351
ethyl 4-(difluoromethyl)-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole-5-carboxylate
CID 103199203
ethyl 4-(difluoromethyl)-2-(2-methyloxolan-3-yl)-1,3-oxazole-5-carboxylate
CID 103199126
ethyl 2-(3-bromo-2-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199140
ethyl 2-(2,3-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199087
ethyl 2-(4-bromo-3-methylphenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199129
ethyl 2-(2,6-difluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371360
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
ethyl 2-(2-bromo-4-chlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylate
CID 107995262

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate (CID 103199077) is ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(C(C)C)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
The InChIKey is BAZKFHNRDHDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c1-4-15-10(14)7-6(8(11)12)13-9(16-7)5(2)3/h5,8H,4H2,1-3H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate?
ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate has a molecular weight of 233.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).