N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C22H33N3O3S — CID 3241591

IUPACN-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCCN(CCC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C22H33N3O3S/c1-5-12-25(13-6-2)14-11-23-21(26)16-29(27)15-20-18(4)28-22(24-20)19-9-7-17(3)8-10-19/h7-10H,5-6,11-16H2,1-4H3,(H,23,26)
InChIKeyKDORMSBCTJFZBI-UHFFFAOYSA-N
MW419.59 g/mol
LogP3.45
Rot. Bonds12

About N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 3241591) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID3241591
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCCCN(CCC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C22H33N3O3S/c1-5-12-25(13-6-2)14-11-23-21(26)16-29(27)15-20-18(4)28-22(24-20)19-9-7-17(3)8-10-19/h7-10H,5-6,11-16H2,1-4H3,(H,23,26)
InChIKeyKDORMSBCTJFZBI-UHFFFAOYSA-N
XLogP3.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 3241591) is N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is CCCN(CCC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is KDORMSBCTJFZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-5-12-25(13-6-2)14-11-23-21(26)16-29(27)15-20-18(4)28-22(24-20)19-9-7-17(3)8-10-19/h7-10H,5-6,11-16H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 419.59 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 3241591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).