[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate

C19H15N3O6 — CID 70136914

IUPAC[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
SMILESN#Cc1ccc(C(=O)NCc2ccc(N3CC(OC(=O)O)OC3=O)cc2)cc1
InChIInChI=1S/C19H15N3O6/c20-9-12-1-5-14(6-2-12)17(23)21-10-13-3-7-15(8-4-13)22-11-16(27-18(22)24)28-19(25)26/h1-8,16H,10-11H2,(H,21,23)(H,25,26)
InChIKeyCWTBAULQKLEDNS-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.47
Rot. Bonds5

About [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate

[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate (PubChem CID 70136914) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
PubChem CID70136914
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
SMILESN#Cc1ccc(C(=O)NCc2ccc(N3CC(OC(=O)O)OC3=O)cc2)cc1
InChIInChI=1S/C19H15N3O6/c20-9-12-1-5-14(6-2-12)17(23)21-10-13-3-7-15(8-4-13)22-11-16(27-18(22)24)28-19(25)26/h1-8,16H,10-11H2,(H,21,23)(H,25,26)
InChIKeyCWTBAULQKLEDNS-UHFFFAOYSA-N
XLogP2.47
TPSA128.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate with MolForge

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Related Compounds

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
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CID 134035332
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722004
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
CID 150287256
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate?
The IUPAC name of [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate (CID 70136914) is [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate.
What is the SMILES notation for [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate?
The canonical SMILES for [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate is N#Cc1ccc(C(=O)NCc2ccc(N3CC(OC(=O)O)OC3=O)cc2)cc1.
What is the InChIKey of [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate?
The InChIKey is CWTBAULQKLEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c20-9-12-1-5-14(6-2-12)17(23)21-10-13-3-7-15(8-4-13)22-11-16(27-18(22)24)28-19(25)26/h1-8,16H,10-11H2,(H,21,23)(H,25,26).
What are the key properties of [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate?
[3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate has a molecular weight of 381.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[(4-cyanobenzoyl)amino]methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate is sourced from PubChem (CID 70136914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).