N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C19H26N2O3S — CID 4174343

IUPACN-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCCCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C
InChIInChI=1S/C19H26N2O3S/c1-4-6-11-20-18(22)13-25-12-17-14(3)24-19(21-17)15-7-9-16(10-8-15)23-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,20,22)
InChIKeySBHBMMZKBIFIAX-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.20
Rot. Bonds10

About N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 4174343) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID4174343
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCCCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C
InChIInChI=1S/C19H26N2O3S/c1-4-6-11-20-18(22)13-25-12-17-14(3)24-19(21-17)15-7-9-16(10-8-15)23-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,20,22)
InChIKeySBHBMMZKBIFIAX-UHFFFAOYSA-N
XLogP4.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 4174343) is N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is CCCCNC(=O)CSCc1nc(-c2ccc(OCC)cc2)oc1C.
What is the InChIKey of N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is SBHBMMZKBIFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-6-11-20-18(22)13-25-12-17-14(3)24-19(21-17)15-7-9-16(10-8-15)23-5-2/h7-10H,4-6,11-13H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 4174343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).