2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H23N3O4S — CID 30178225

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CSCc2c(C)noc2C)ccc1N1CCCC1=O
InChIInChI=1S/C19H23N3O4S/c1-12-15(13(2)26-21-12)10-27-11-18(23)20-14-6-7-16(17(9-14)25-3)22-8-4-5-19(22)24/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,23)
InChIKeyQRPQKVGOWSIPLD-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.30
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30178225) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30178225
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CSCc2c(C)noc2C)ccc1N1CCCC1=O
InChIInChI=1S/C19H23N3O4S/c1-12-15(13(2)26-21-12)10-27-11-18(23)20-14-6-7-16(17(9-14)25-3)22-8-4-5-19(22)24/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,23)
InChIKeyQRPQKVGOWSIPLD-UHFFFAOYSA-N
XLogP3.30
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7959804
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806057
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 18168504
N-(4-bromo-3-methylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7771133
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 86939681
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18281436
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51317994
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30178225) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1cc(NC(=O)CSCc2c(C)noc2C)ccc1N1CCCC1=O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is QRPQKVGOWSIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12-15(13(2)26-21-12)10-27-11-18(23)20-14-6-7-16(17(9-14)25-3)22-8-4-5-19(22)24/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30178225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).