N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H23FN2O5 — CID 11717580

IUPACN-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3CCC(O)C(O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H23FN2O5/c1-10(22)20-8-13-9-21(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-16(23)17(24)6-11/h3-4,7,11,13,16-17,23-24H,2,5-6,8-9H2,1H3,(H,20,22)
InChIKeyDJIDUTFAIOIWAN-UHFFFAOYSA-N
MW366.39 g/mol
LogP1.28
Rot. Bonds4

About N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11717580) has the molecular formula C18H23FN2O5 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID11717580
Molecular FormulaC18H23FN2O5
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC NameN-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C3CCC(O)C(O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H23FN2O5/c1-10(22)20-8-13-9-21(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-16(23)17(24)6-11/h3-4,7,11,13,16-17,23-24H,2,5-6,8-9H2,1H3,(H,20,22)
InChIKeyDJIDUTFAIOIWAN-UHFFFAOYSA-N
XLogP1.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11717580) is N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C3CCC(O)C(O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DJIDUTFAIOIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O5/c1-10(22)20-8-13-9-21(18(25)26-13)12-3-4-14(15(19)7-12)11-2-5-16(23)17(24)6-11/h3-4,7,11,13,16-17,23-24H,2,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 366.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11717580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).