N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

C21H19N3O3S — CID 95089083

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)s3)no2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13-5-7-15(8-6-13)21-23-19(24-27-21)17-9-10-18(28-17)20(25)22-14(2)12-16-4-3-11-26-16/h3-11,14H,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyKVOWVONGAIUCRX-AWEZNQCLSA-N
MW393.47 g/mol
LogP4.73
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (PubChem CID 95089083) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
PubChem CID95089083
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)s3)no2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13-5-7-15(8-6-13)21-23-19(24-27-21)17-9-10-18(28-17)20(25)22-14(2)12-16-4-3-11-26-16/h3-11,14H,12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyKVOWVONGAIUCRX-AWEZNQCLSA-N
XLogP4.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
1-[(2S)-1-(furan-2-yl)propan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 92868257
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53119582
3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50827812
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 92884725
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide (CID 95089083) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-c2nc(-c3ccc(C(=O)N[C@@H](C)Cc4ccco4)s3)no2)cc1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
The InChIKey is KVOWVONGAIUCRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-5-7-15(8-6-13)21-23-19(24-27-21)17-9-10-18(28-17)20(25)22-14(2)12-16-4-3-11-26-16/h3-11,14H,12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95089083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).