4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide

C19H18N2O3S — CID 86980180

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C19H18N2O3S/c1-13-7-9-17(25-13)15(22)8-10-18(23)20-12-19-21-11-16(24-19)14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)
InChIKeyJAVILTRBNDWPTC-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.99
Rot. Bonds7

About 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide (PubChem CID 86980180) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
PubChem CID86980180
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C19H18N2O3S/c1-13-7-9-17(25-13)15(22)8-10-18(23)20-12-19-21-11-16(24-19)14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23)
InChIKeyJAVILTRBNDWPTC-UHFFFAOYSA-N
XLogP3.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide with MolForge

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Related Compounds

N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[[2-(methoxymethyl)phenyl]methyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 32603425
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86980331
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 87045240
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669
N-[(2-ethoxyphenyl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60565951

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide (CID 86980180) is 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCc2ncc(-c3ccccc3)o2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
The InChIKey is JAVILTRBNDWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-7-9-17(25-13)15(22)8-10-18(23)20-12-19-21-11-16(24-19)14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,20,23).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide has a molecular weight of 354.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide is sourced from PubChem (CID 86980180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).