N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide

C21H17N3O3S — CID 42278821

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-11-3-5-15-19(7-11)28-21(22-15)23-20(25)16-10-18(27-24-16)13-4-6-17-14(9-13)8-12(2)26-17/h3-7,9-10,12H,8H2,1-2H3,(H,22,23,25)/t12-/m0/s1
InChIKeyZRBOAAUADYGIJT-LBPRGKRZSA-N
MW391.45 g/mol
LogP4.84
Rot. Bonds3

About N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42278821) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID42278821
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-11-3-5-15-19(7-11)28-21(22-15)23-20(25)16-10-18(27-24-16)13-4-6-17-14(9-13)8-12(2)26-17/h3-7,9-10,12H,8H2,1-2H3,(H,22,23,25)/t12-/m0/s1
InChIKeyZRBOAAUADYGIJT-LBPRGKRZSA-N
XLogP4.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 43843482
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
CID 35572651
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
N-(2,5-dimethoxyphenyl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
CID 35572735
5-(3,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011314
methyl 2-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 35180119
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
5-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953807
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 50767260
(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006570

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide (CID 42278821) is N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide is Cc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZRBOAAUADYGIJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-11-3-5-15-19(7-11)28-21(22-15)23-20(25)16-10-18(27-24-16)13-4-6-17-14(9-13)8-12(2)26-17/h3-7,9-10,12H,8H2,1-2H3,(H,22,23,25)/t12-/m0/s1.
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42278821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).