N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide

C17H21N3O5 — CID 66953973

IUPACN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1)C1CCNC1
InChIInChI=1S/C17H21N3O5/c21-16(11-3-4-18-8-11)19-9-13-10-20(17(22)25-13)12-1-2-14-15(7-12)24-6-5-23-14/h1-2,7,11,13,18H,3-6,8-10H2,(H,19,21)/t11?,13-/m1/s1
InChIKeyDSAGJAUSTQVFAR-GLGOKHISSA-N
MW347.37 g/mol
LogP0.51
Rot. Bonds4

About N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide

N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 66953973) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID66953973
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1)C1CCNC1
InChIInChI=1S/C17H21N3O5/c21-16(11-3-4-18-8-11)19-9-13-10-20(17(22)25-13)12-1-2-14-15(7-12)24-6-5-23-14/h1-2,7,11,13,18H,3-6,8-10H2,(H,19,21)/t11?,13-/m1/s1
InChIKeyDSAGJAUSTQVFAR-GLGOKHISSA-N
XLogP0.51
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119461163
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119511168
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119387074
(E)-N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-fluoroquinolin-4-yl)prop-2-enamide
CID 25116238
1-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 51446275
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 110328375
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16921978
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120554310
N-[[(5S)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 15341034
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
CID 91422533
N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940886

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide (CID 66953973) is N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide is O=C(NC[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1)C1CCNC1.
What is the InChIKey of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is DSAGJAUSTQVFAR-GLGOKHISSA-N. The full InChI is InChI=1S/C17H21N3O5/c21-16(11-3-4-18-8-11)19-9-13-10-20(17(22)25-13)12-1-2-14-15(7-12)24-6-5-23-14/h1-2,7,11,13,18H,3-6,8-10H2,(H,19,21)/t11?,13-/m1/s1.
What are the key properties of N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide?
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 66953973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).