3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one

C21H18ClF2N5O4 — CID 58287723

IUPAC3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)C(O)c1ccc(F)cc1F
InChIInChI=1S/C21H18ClF2N5O4/c22-13-2-5-17(28-11-25-26-27-28)12(9-13)1-6-19(30)18-7-8-33-29(18)21(32)20(31)15-4-3-14(23)10-16(15)24/h2-5,9-11,18,20,31H,1,6-8H2/t18-,20?/m0/s1
InChIKeyINTVDEMJFPANKM-LROBGIAVSA-N
MW477.86 g/mol
LogP2.36
Rot. Bonds7

About 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one (PubChem CID 58287723) has the molecular formula C21H18ClF2N5O4 and a molecular weight of 477.86 g/mol. Its IUPAC name is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
PubChem CID58287723
Molecular FormulaC21H18ClF2N5O4
Molecular Weight477.86 g/mol
Exact Mass477.10
IUPAC Name3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
SMILESO=C(CCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)C(O)c1ccc(F)cc1F
InChIInChI=1S/C21H18ClF2N5O4/c22-13-2-5-17(28-11-25-26-27-28)12(9-13)1-6-19(30)18-7-8-33-29(18)21(32)20(31)15-4-3-14(23)10-16(15)24/h2-5,9-11,18,20,31H,1,6-8H2/t18-,20?/m0/s1
InChIKeyINTVDEMJFPANKM-LROBGIAVSA-N
XLogP2.36
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
CID 58287727
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide
CID 140545256
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2-fluorophenyl)-2-hydroxyacetyl]-3,4-dihydropyrazol-3-yl]propan-1-one
CID 58287722
tert-butyl (2S)-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]azetidine-1-carboxylate
CID 160702453
(4S)-4-amino-1-[5-chloro-2-(tetrazol-1-yl)phenyl]pentan-3-one
CID 157144853
(2,5-dioxopyrrolidin-1-yl) 3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoate
CID 163619946
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1,2-oxazolidine-3-carboxamide;hydrochloride
CID 66755297
(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
CID 42534190
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
(1S,3S,5S)-2-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 25154412
N-[1-[5-chloro-2-(tetrazol-1-yl)phenyl]ethyl]-1-(2-hydroxy-3,3-dimethylbutanoyl)azetidine-2-carboxamide
CID 123409227
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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one (CID 58287723) is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one is O=C(CCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)C(O)c1ccc(F)cc1F.
What is the InChIKey of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?
The InChIKey is INTVDEMJFPANKM-LROBGIAVSA-N. The full InChI is InChI=1S/C21H18ClF2N5O4/c22-13-2-5-17(28-11-25-26-27-28)12(9-13)1-6-19(30)18-7-8-33-29(18)21(32)20(31)15-4-3-14(23)10-16(15)24/h2-5,9-11,18,20,31H,1,6-8H2/t18-,20?/m0/s1.
What are the key properties of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one has a molecular weight of 477.86 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[2-(2,4-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 58287723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).