N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide

C20H17ClF2N6O4 — CID 140545256

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1-n1cnnn1)C1CCON1C(=O)C(O)c1cccc(F)c1F
InChIInChI=1S/C20H17ClF2N6O4/c21-12-4-5-15(28-10-25-26-27-28)11(8-12)9-24-19(31)16-6-7-33-29(16)20(32)18(30)13-2-1-3-14(22)17(13)23/h1-5,8,10,16,18,30H,6-7,9H2,(H,24,31)
InChIKeyPJAWAIFPHMQDBP-UHFFFAOYSA-N
MW478.84 g/mol
LogP1.48
Rot. Bonds6

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide (PubChem CID 140545256) has the molecular formula C20H17ClF2N6O4 and a molecular weight of 478.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide
PubChem CID140545256
Molecular FormulaC20H17ClF2N6O4
Molecular Weight478.84 g/mol
Exact Mass478.10
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1-n1cnnn1)C1CCON1C(=O)C(O)c1cccc(F)c1F
InChIInChI=1S/C20H17ClF2N6O4/c21-12-4-5-15(28-10-25-26-27-28)11(8-12)9-24-19(31)16-6-7-33-29(16)20(32)18(30)13-2-1-3-14(22)17(13)23/h1-5,8,10,16,18,30H,6-7,9H2,(H,24,31)
InChIKeyPJAWAIFPHMQDBP-UHFFFAOYSA-N
XLogP1.48
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.84
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
(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
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
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-2-hydroxy-2-phenylacetyl]-3,4-dihydropyrazole-3-carboxamide
CID 58017500
(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1,2-oxazolidine-3-carboxamide;hydrochloride
CID 66755297
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
(2S,4S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1-[(2R)-3-cyclopropyl-2-hydroxypropanoyl]-4,5-dimethylpyrrolidine-2-carboxamide
CID 70288858
(3S)-2-[(2R)-2-amino-4,4-dimethylpentanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3,4-dihydropyrazole-3-carboxamide
CID 58017518
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1-[(2R)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 142162747
(1R,2S,5S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[(2R)-2-hydroxy-2-phenylacetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 25154106
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[(2R)-2-hydroxyhexanoyl]-3,4-dihydropyrazole-3-carboxamide
CID 140545245
(1S,2S,5R)-3-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 25154371

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide (CID 140545256) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide is O=C(NCc1cc(Cl)ccc1-n1cnnn1)C1CCON1C(=O)C(O)c1cccc(F)c1F.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide?
The InChIKey is PJAWAIFPHMQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O4/c21-12-4-5-15(28-10-25-26-27-28)11(8-12)9-24-19(31)16-6-7-33-29(16)20(32)18(30)13-2-1-3-14(22)17(13)23/h1-5,8,10,16,18,30H,6-7,9H2,(H,24,31).
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide has a molecular weight of 478.84 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 140545256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).