5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one

C19H18FNO6 — CID 123997675

IUPAC5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESCC(C)C(=O)COc1ccc(Cn2c(=O)oc3cc(O)c(F)cc32)cc1O
InChIInChI=1S/C19H18FNO6/c1-10(2)16(24)9-26-17-4-3-11(5-15(17)23)8-21-13-6-12(20)14(22)7-18(13)27-19(21)25/h3-7,10,22-23H,8-9H2,1-2H3
InChIKeyNFMYRULNXONGBN-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.80
Rot. Bonds6

About 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one

5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 123997675) has the molecular formula C19H18FNO6 and a molecular weight of 375.35 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one
PubChem CID123997675
Molecular FormulaC19H18FNO6
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESCC(C)C(=O)COc1ccc(Cn2c(=O)oc3cc(O)c(F)cc32)cc1O
InChIInChI=1S/C19H18FNO6/c1-10(2)16(24)9-26-17-4-3-11(5-15(17)23)8-21-13-6-12(20)14(22)7-18(13)27-19(21)25/h3-7,10,22-23H,8-9H2,1-2H3
InChIKeyNFMYRULNXONGBN-UHFFFAOYSA-N
XLogP2.80
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

ethyl 2-bromoacetate;ethyl 2-[2-methoxy-4-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]phenoxy]acetate;3-[(4-hydroxy-3-methoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
CID 158391371
3-benzyl-2-oxo-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 53067044
propan-2-yl 2-[6-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357335
3-[(4-chlorophenyl)methyl]-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062852
3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-chloro-1,3-benzoxazol-2-one
CID 8986335
1-(2,6-difluorophenoxy)-3-methylbutan-2-one
CID 81268709
2-fluoro-4-[(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 106698884
6-hydroxy-3-[(2-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 129087851
3-ethyl-6-(2-methylpropanoyl)-1,3-benzoxazol-2-one
CID 62298450
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
N-(2-ethylphenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067081
3-[(4-methoxy-3-nitrophenyl)methyl]-1,3-benzoxazol-2-one
CID 17175103

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one (CID 123997675) is 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one is CC(C)C(=O)COc1ccc(Cn2c(=O)oc3cc(O)c(F)cc32)cc1O.
What is the InChIKey of 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is NFMYRULNXONGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6/c1-10(2)16(24)9-26-17-4-3-11(5-15(17)23)8-21-13-6-12(20)14(22)7-18(13)27-19(21)25/h3-7,10,22-23H,8-9H2,1-2H3.
What are the key properties of 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one?
5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 375.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-3-[[3-hydroxy-4-(3-methyl-2-oxobutoxy)phenyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 123997675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).