(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one

C18H15N3O4 — CID 58229190

IUPAC(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc3c(c2)OCCO3)N1c1ccn2ccnc2c1
InChIInChI=1S/C18H15N3O4/c22-18-21(13-3-5-20-6-4-19-17(20)10-13)14(11-25-18)12-1-2-15-16(9-12)24-8-7-23-15/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1
InChIKeyITNWELLYRIHSEQ-CQSZACIVSA-N
MW337.34 g/mol
LogP2.80
Rot. Bonds2

About (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one

(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one (PubChem CID 58229190) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one
PubChem CID58229190
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccc3c(c2)OCCO3)N1c1ccn2ccnc2c1
InChIInChI=1S/C18H15N3O4/c22-18-21(13-3-5-20-6-4-19-17(20)10-13)14(11-25-18)12-1-2-15-16(9-12)24-8-7-23-15/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1
InChIKeyITNWELLYRIHSEQ-CQSZACIVSA-N
XLogP2.80
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one (CID 58229190) is (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccc3c(c2)OCCO3)N1c1ccn2ccnc2c1.
What is the InChIKey of (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one?
The InChIKey is ITNWELLYRIHSEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18-21(13-3-5-20-6-4-19-17(20)10-13)14(11-25-18)12-1-2-15-16(9-12)24-8-7-23-15/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1.
What are the key properties of (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one?
(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one has a molecular weight of 337.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazo[1,2-a]pyridin-7-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).