2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

C24H23N3O2S — CID 60558436

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C24H23N3O2S/c1-18-21(26-24(29-18)22-10-6-14-30-22)15-23(28)27(17-20-9-5-12-25-16-20)13-11-19-7-3-2-4-8-19/h2-10,12,14,16H,11,13,15,17H2,1H3
InChIKeyKQEVPNBWQWIWRL-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.92
Rot. Bonds8

About 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 60558436) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID60558436
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(CCc1ccccc1)Cc1cccnc1
InChIInChI=1S/C24H23N3O2S/c1-18-21(26-24(29-18)22-10-6-14-30-22)15-23(28)27(17-20-9-5-12-25-16-20)13-11-19-7-3-2-4-8-19/h2-10,12,14,16H,11,13,15,17H2,1H3
InChIKeyKQEVPNBWQWIWRL-UHFFFAOYSA-N
XLogP4.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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CID 24665990
2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 166184628
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CID 60712307
benzyl 2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 31046909
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N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
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CID 110673661
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55579560
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-5-phenylpentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 60558436) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)N(CCc1ccccc1)Cc1cccnc1.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KQEVPNBWQWIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-18-21(26-24(29-18)22-10-6-14-30-22)15-23(28)27(17-20-9-5-12-25-16-20)13-11-19-7-3-2-4-8-19/h2-10,12,14,16H,11,13,15,17H2,1H3.
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 60558436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).