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

C30H24F2N2O5 — CID 74382080

IUPAC[3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1OC(=O)N(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35)
InChIKeyIYVPNKYYWSHKND-UHFFFAOYSA-N
MW530.53 g/mol
LogP6.86
Rot. Bonds8

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

[3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate (PubChem CID 74382080) has the molecular formula C30H24F2N2O5 and a molecular weight of 530.53 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
PubChem CID74382080
Molecular FormulaC30H24F2N2O5
Molecular Weight530.53 g/mol
Exact Mass530.17
IUPAC Name[3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1OC(=O)N(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35)
InChIKeyIYVPNKYYWSHKND-UHFFFAOYSA-N
XLogP6.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.53
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Phenyl-5-(p-tolyloxymethyl)oxazolidin-2-one
CID 46887320
5-((4-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887367
3-Phenyl-5-((4-(trifluoromethyl)phenoxy)methyl)oxazolidin-2-one
CID 46887418
N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 90092527
2,2,2-trifluoro-N-[(1S)-1-[4-[(3R)-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885350
N-[(1S)-1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885355
N-[(1S)-1-[4-[1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885356
methyl N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]carbamate
CID 117885418
N-[(1S)-1-[4-[1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885466
N-[(1S)-1-[4-[(3S)-1-(3-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885495
N-[(1S)-1-[4-[(3R)-1-(3-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885496
N-[(1S)-1-[4-[(3S)-1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 117885497

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The IUPAC name of [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate (CID 74382080) is [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OCC1OC(=O)N(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The InChIKey is IYVPNKYYWSHKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35).
What are the key properties of [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
[3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate has a molecular weight of 530.53 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 74382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).