3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C31H32N6O5S — CID 123776778

IUPAC3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(-c3nc(C4CC(=O)N(C5CC5)C4)no3)cc2Oc2ccc(-c3nnc(C(C)C)s3)cc2)C(=O)O1
InChIInChI=1S/C31H32N6O5S/c1-17(2)29-33-34-30(43-29)19-6-10-24(11-7-19)41-25-12-20(4-5-21(25)15-36-14-18(3)40-31(36)39)28-32-27(35-42-28)22-13-26(38)37(16-22)23-8-9-23/h4-7,10-12,17-18,22-23H,8-9,13-16H2,1-3H3
InChIKeyQVIAIQLDOVOTHG-UHFFFAOYSA-N
MW600.70 g/mol
LogP5.99
Rot. Bonds9

About 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one

3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 123776778) has the molecular formula C31H32N6O5S and a molecular weight of 600.70 g/mol. Its IUPAC name is 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID123776778
Molecular FormulaC31H32N6O5S
Molecular Weight600.70 g/mol
Exact Mass600.22
IUPAC Name3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(Cc2ccc(-c3nc(C4CC(=O)N(C5CC5)C4)no3)cc2Oc2ccc(-c3nnc(C(C)C)s3)cc2)C(=O)O1
InChIInChI=1S/C31H32N6O5S/c1-17(2)29-33-34-30(43-29)19-6-10-24(11-7-19)41-25-12-20(4-5-21(25)15-36-14-18(3)40-31(36)39)28-32-27(35-42-28)22-13-26(38)37(16-22)23-8-9-23/h4-7,10-12,17-18,22-23H,8-9,13-16H2,1-3H3
InChIKeyQVIAIQLDOVOTHG-UHFFFAOYSA-N
XLogP5.99
TPSA123.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 123776778) is 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(Cc2ccc(-c3nc(C4CC(=O)N(C5CC5)C4)no3)cc2Oc2ccc(-c3nnc(C(C)C)s3)cc2)C(=O)O1.
What is the InChIKey of 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is QVIAIQLDOVOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O5S/c1-17(2)29-33-34-30(43-29)19-6-10-24(11-7-19)41-25-12-20(4-5-21(25)15-36-14-18(3)40-31(36)39)28-32-27(35-42-28)22-13-26(38)37(16-22)23-8-9-23/h4-7,10-12,17-18,22-23H,8-9,13-16H2,1-3H3.
What are the key properties of 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 600.70 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]-2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123776778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).