N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide

C19H24N4O3S — CID 24982637

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCC2)no1
InChIInChI=1S/C19H24N4O3S/c1-13-11-17(22-26-13)21-19(25)14(2)27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-6-10-23/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyPXGMBPHAWROJIP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.28
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide (PubChem CID 24982637) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide
PubChem CID24982637
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCC2)no1
InChIInChI=1S/C19H24N4O3S/c1-13-11-17(22-26-13)21-19(25)14(2)27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-6-10-23/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyPXGMBPHAWROJIP-UHFFFAOYSA-N
XLogP3.28
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide (CID 24982637) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide is Cc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide?
The InChIKey is PXGMBPHAWROJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-11-17(22-26-13)21-19(25)14(2)27-12-18(24)20-15-7-3-4-8-16(15)23-9-5-6-10-23/h3-4,7-8,11,14H,5-6,9-10,12H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]sulfanylpropanamide is sourced from PubChem (CID 24982637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).