1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one

C31H29N5O4S — CID 118454152

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

1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 118454152) has the molecular formula C31H29N5O4S and a molecular weight of 567.67 g/mol. Its IUPAC name is 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one
• PubChem CID: 118454152
• Molecular Formula: C31H29N5O4S
• Molecular Weight: 567.67 g/mol
• Exact Mass: 567.19
• IUPAC Name: 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one
• SMILES: CC(C)c1nnc(-c2ccc(Oc3cc(-c4nc(-c5ccc(=O)n(C)c5)co4)ccc3CN3CCCC3=O)cc2)s1
• InChI: InChI=1S/C31H29N5O4S/c1-19(2)30-33-34-31(41-30)20-8-11-24(12-9-20)40-26-15-21(6-7-23(26)17-36-14-4-5-28(36)38)29-32-25(18-39-29)22-10-13-27(37)35(3)16-22/h6-13,15-16,18-19H,4-5,14,17H2,1-3H3
• InChIKey: ANCOFNBYZUVSFV-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 103.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.67
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one?

The IUPAC name of 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one (CID 118454152) is 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one.

What is the SMILES notation for 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one?

The canonical SMILES for 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one is CC(C)c1nnc(-c2ccc(Oc3cc(-c4nc(-c5ccc(=O)n(C)c5)co4)ccc3CN3CCCC3=O)cc2)s1.

What is the InChIKey of 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one?

The InChIKey is ANCOFNBYZUVSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O4S/c1-19(2)30-33-34-31(41-30)20-8-11-24(12-9-20)40-26-15-21(6-7-23(26)17-36-14-4-5-28(36)38)29-32-25(18-39-29)22-10-13-27(37)35(3)16-22/h6-13,15-16,18-19H,4-5,14,17H2,1-3H3.

What are the key properties of 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one?

1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 567.67 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[2-[4-[(2-oxopyrrolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]phenyl]-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 118454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).