N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

C17H18N2O3S — CID 95272119

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C17H18N2O3S/c1-11(8-14-4-3-6-21-14)18-16(20)9-15-12(2)22-17(19-15)13-5-7-23-10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyZDEUIDXEOSNLLE-NSHDSACASA-N
MW330.41 g/mol
LogP3.59
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 95272119) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
PubChem CID95272119
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C17H18N2O3S/c1-11(8-14-4-3-6-21-14)18-16(20)9-15-12(2)22-17(19-15)13-5-7-23-10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyZDEUIDXEOSNLLE-NSHDSACASA-N
XLogP3.59
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 111484186
N-(1-aminohexan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119666734
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119598840
4-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 100640260
2-[[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]amino]-2-phenylbutanoic acid
CID 119201879
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 97235423
(2R)-2-[[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]propanoic acid
CID 119244019
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 110371830
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535706
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
N-(1-methylazepan-4-yl)-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 166298149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide (CID 95272119) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)Cc1ccco1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is ZDEUIDXEOSNLLE-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11(8-14-4-3-6-21-14)18-16(20)9-15-12(2)22-17(19-15)13-5-7-23-10-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 95272119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).