2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C19H23N3O3S — CID 55602501

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1nc(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)oc1C
InChIInChI=1S/C19H23N3O3S/c1-13-14(2)25-19(21-13)26-12-17(23)20-11-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyYXHYVFWADIXVTF-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.94
Rot. Bonds6

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55602501) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55602501
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1nc(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)oc1C
InChIInChI=1S/C19H23N3O3S/c1-13-14(2)25-19(21-13)26-12-17(23)20-11-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyYXHYVFWADIXVTF-UHFFFAOYSA-N
XLogP2.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 55602501) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is Cc1nc(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is YXHYVFWADIXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-14(2)25-19(21-13)26-12-17(23)20-11-15-5-7-16(8-6-15)18(24)22-9-3-4-10-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).