N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C21H24N2O2S — CID 55903525

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCC(CC)C(NC(=O)Cc1coc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C21H24N2O2S/c1-3-15(4-2)20(18-11-8-12-26-18)23-19(24)13-17-14-25-21(22-17)16-9-6-5-7-10-16/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyMLRQCVJEMQXXPF-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.24
Rot. Bonds8

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 55903525) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID55903525
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCC(CC)C(NC(=O)Cc1coc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C21H24N2O2S/c1-3-15(4-2)20(18-11-8-12-26-18)23-19(24)13-17-14-25-21(22-17)16-9-6-5-7-10-16/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,23,24)
InChIKeyMLRQCVJEMQXXPF-UHFFFAOYSA-N
XLogP5.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
N-(5-methylhexan-2-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 42886686
(2R)-2-phenyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetamide
CID 94574132
N-[1-(2-methylphenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51262103
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 55903525) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CCC(CC)C(NC(=O)Cc1coc(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is MLRQCVJEMQXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-15(4-2)20(18-11-8-12-26-18)23-19(24)13-17-14-25-21(22-17)16-9-6-5-7-10-16/h5-12,14-15,20H,3-4,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 368.50 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55903525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).