N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C19H20N2O5S — CID 163380475

IUPACN-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NC4COC[C@H]4O)c3c2)s1
InChIInChI=1S/C19H20N2O5S/c1-10-18(19(23)21-15-8-24-9-16(15)22)14-5-12(3-4-17(14)26-10)25-7-13-6-20-11(2)27-13/h3-6,15-16,22H,7-9H2,1-2H3,(H,21,23)/t15?,16-/m1/s1
InChIKeyPVAHVXICSAIKMB-OEMAIJDKSA-N
MW388.45 g/mol
LogP2.57
Rot. Bonds5

About N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380475) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380475
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NC4COC[C@H]4O)c3c2)s1
InChIInChI=1S/C19H20N2O5S/c1-10-18(19(23)21-15-8-24-9-16(15)22)14-5-12(3-4-17(14)26-10)25-7-13-6-20-11(2)27-13/h3-6,15-16,22H,7-9H2,1-2H3,(H,21,23)/t15?,16-/m1/s1
InChIKeyPVAHVXICSAIKMB-OEMAIJDKSA-N
XLogP2.57
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480264
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-yl]methanol
CID 178077313
1-O-tert-butyl 3-O-methyl 3-[[2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1,3-dicarboxylate
CID 163379949
N-[1-amino-1-oxo-3-(1,2,4-triazol-1-yl)propan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380550
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-N-(5-oxo-1,4-oxazepan-6-yl)-1-benzofuran-3-carboxamide
CID 163380921
5-(cyclopropylmethoxy)-2-methyl-N-(1-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide
CID 175963546
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380571
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-(2-oxopyrrolidin-3-yl)-1-benzofuran-3-carboxamide
CID 163380265
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380698

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380475) is N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NC4COC[C@H]4O)c3c2)s1.
What is the InChIKey of N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is PVAHVXICSAIKMB-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-10-18(19(23)21-15-8-24-9-16(15)22)14-5-12(3-4-17(14)26-10)25-7-13-6-20-11(2)27-13/h3-6,15-16,22H,7-9H2,1-2H3,(H,21,23)/t15?,16-/m1/s1.
What are the key properties of N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-hydroxyoxolan-3-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).