methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

C15H17F2NO5 — CID 68699542

IUPACmethyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOc1cc(C2=NOC(C)(C(=O)OC)C2)ccc1OC(F)F
InChIInChI=1S/C15H17F2NO5/c1-4-21-12-7-9(5-6-11(12)22-14(16)17)10-8-15(2,23-18-10)13(19)20-3/h5-7,14H,4,8H2,1-3H3
InChIKeyBGYGFSMTLNJOHA-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.74
Rot. Bonds6

About methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate

methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 68699542) has the molecular formula C15H17F2NO5 and a molecular weight of 329.30 g/mol. Its IUPAC name is methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
PubChem CID68699542
Molecular FormulaC15H17F2NO5
Molecular Weight329.30 g/mol
Exact Mass329.11
IUPAC Namemethyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
SMILESCCOc1cc(C2=NOC(C)(C(=O)OC)C2)ccc1OC(F)F
InChIInChI=1S/C15H17F2NO5/c1-4-21-12-7-9(5-6-11(12)22-14(16)17)10-8-15(2,23-18-10)13(19)20-3/h5-7,14H,4,8H2,1-3H3
InChIKeyBGYGFSMTLNJOHA-UHFFFAOYSA-N
XLogP2.74
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 10640392
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
CID 25009375
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]acetic acid
CID 68740294
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
CID 66842306
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide
CID 142781940
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
methyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167362872
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
CID 122047818
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate (CID 68699542) is methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is CCOc1cc(C2=NOC(C)(C(=O)OC)C2)ccc1OC(F)F.
What is the InChIKey of methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is BGYGFSMTLNJOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO5/c1-4-21-12-7-9(5-6-11(12)22-14(16)17)10-8-15(2,23-18-10)13(19)20-3/h5-7,14H,4,8H2,1-3H3.
What are the key properties of methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate?
methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 329.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 68699542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).