3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide

C16H18N4O4S — CID 95791881

IUPAC3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H18N4O4S/c1-4-11(17-14(21)13-9(2)19-24-10(13)3)8-20-16(22)23-15(18-20)12-6-5-7-25-12/h5-7,11H,4,8H2,1-3H3,(H,17,21)/t11-/m0/s1
InChIKeyXMTLBOHQANFDPX-NSHDSACASA-N
MW362.41 g/mol
LogP2.38
Rot. Bonds6

About 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 95791881) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID95791881
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1c(C)noc1C
InChIInChI=1S/C16H18N4O4S/c1-4-11(17-14(21)13-9(2)19-24-10(13)3)8-20-16(22)23-15(18-20)12-6-5-7-25-12/h5-7,11H,4,8H2,1-3H3,(H,17,21)/t11-/m0/s1
InChIKeyXMTLBOHQANFDPX-NSHDSACASA-N
XLogP2.38
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 95791882
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800
1-methylsulfonyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]piperidine-4-carboxamide
CID 16671716
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
2-(2-methylphenyl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 16672334
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
2-(4-methyl-1-oxophthalazin-2-yl)-N-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]acetamide
CID 126470275

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide (CID 95791881) is 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide is CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is XMTLBOHQANFDPX-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-11(17-14(21)13-9(2)19-24-10(13)3)8-20-16(22)23-15(18-20)12-6-5-7-25-12/h5-7,11H,4,8H2,1-3H3,(H,17,21)/t11-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95791881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).