N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H19FN2O5S — CID 164640647

IUPACN-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H19FN2O5S/c1-10-16(11(2)24-18-10)25(20,21)19-14-6-7-22-9-15(14)23-13-5-3-4-12(17)8-13/h3-5,8,14-15,19H,6-7,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyUMKKLPDGMKGCDO-GJZGRUSLSA-N
MW370.40 g/mol
LogP1.95
Rot. Bonds5

About N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 164640647) has the molecular formula C16H19FN2O5S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID164640647
Molecular FormulaC16H19FN2O5S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H19FN2O5S/c1-10-16(11(2)24-18-10)25(20,21)19-14-6-7-22-9-15(14)23-13-5-3-4-12(17)8-13/h3-5,8,14-15,19H,6-7,9H2,1-2H3/t14-,15-/m0/s1
InChIKeyUMKKLPDGMKGCDO-GJZGRUSLSA-N
XLogP1.95
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 164640647) is N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is UMKKLPDGMKGCDO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19FN2O5S/c1-10-16(11(2)24-18-10)25(20,21)19-14-6-7-22-9-15(14)23-13-5-3-4-12(17)8-13/h3-5,8,14-15,19H,6-7,9H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 370.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-(3-fluorophenoxy)oxan-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 164640647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).