N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C17H15ClN2O2S — CID 39441815

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O2S/c1-20(10-14-7-8-15(18)23-14)16(21)9-13-11-22-17(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyYHVMEIBEMBIWMJ-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.26
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 39441815) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID39441815
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN2O2S/c1-20(10-14-7-8-15(18)23-14)16(21)9-13-11-22-17(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyYHVMEIBEMBIWMJ-UHFFFAOYSA-N
XLogP4.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38036018
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 51132746
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 109400323
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 54770947
2-(4-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 78792244
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 39735708
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38011894
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 39441815) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CN(Cc1ccc(Cl)s1)C(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is YHVMEIBEMBIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-20(10-14-7-8-15(18)23-14)16(21)9-13-11-22-17(19-13)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 39441815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).