[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate

C18H14F2N2O4 — CID 46892622

IUPAC[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1
InChIInChI=1S/C18H14F2N2O4/c19-15-6-1-11(7-16(15)20)9-24-13-4-2-12(3-5-13)17-8-14(26-22-17)10-25-18(21)23/h1-8H,9-10H2,(H2,21,23)
InChIKeyFFVUFXFGZKNSAT-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.79
Rot. Bonds6

About [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate

[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 46892622) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
PubChem CID46892622
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1
InChIInChI=1S/C18H14F2N2O4/c19-15-6-1-11(7-16(15)20)9-24-13-4-2-12(3-5-13)17-8-14(26-22-17)10-25-18(21)23/h1-8H,9-10H2,(H2,21,23)
InChIKeyFFVUFXFGZKNSAT-UHFFFAOYSA-N
XLogP3.79
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 46892621
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
[3-[4-[(5-chlorothiophen-2-yl)methyl]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 90384001
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
3-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69197842
2-amino-3-[4-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]propanamide
CID 143030396
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate (CID 46892622) is [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate is NC(=O)OCc1cc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)no1.
What is the InChIKey of [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is FFVUFXFGZKNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c19-15-6-1-11(7-16(15)20)9-24-13-4-2-12(3-5-13)17-8-14(26-22-17)10-25-18(21)23/h1-8H,9-10H2,(H2,21,23).
What are the key properties of [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
[3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 360.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(3,4-difluorophenyl)methoxy]phenyl]-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 46892622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).