3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17N3O3S — CID 19493686

IUPAC3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-13-17(9-11)26-19(20-13)21-18(23)16-10-14(22-25-16)12-5-3-4-6-15(12)24-2/h3-9,16H,10H2,1-2H3,(H,20,21,23)
InChIKeyAKRPASLGOHWGKE-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.75
Rot. Bonds4

About 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493686) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493686
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NOC(C(=O)Nc2nc3ccc(C)cc3s2)C1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-13-17(9-11)26-19(20-13)21-18(23)16-10-14(22-25-16)12-5-3-4-6-15(12)24-2/h3-9,16H,10H2,1-2H3,(H,20,21,23)
InChIKeyAKRPASLGOHWGKE-UHFFFAOYSA-N
XLogP3.75
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
N-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493636
(3R)-1-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 25374869
(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638390
(5S)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095330
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731658
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
1-(2-methoxy-5-methylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17191964

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493686) is 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C(=O)Nc2nc3ccc(C)cc3s2)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AKRPASLGOHWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-7-8-13-17(9-11)26-19(20-13)21-18(23)16-10-14(22-25-16)12-5-3-4-6-15(12)24-2/h3-9,16H,10H2,1-2H3,(H,20,21,23).
What are the key properties of 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).