4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C22H21N3O4S — CID 2102520

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H21N3O4S/c1-12-5-7-17-20(9-12)30-22(23-17)24-21(26)15-6-8-18(19(10-15)27-4)28-11-16-13(2)25-29-14(16)3/h5-10H,11H2,1-4H3,(H,23,24,26)
InChIKeyPSDGPVYRRASWPG-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.05
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2102520) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2102520
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C22H21N3O4S/c1-12-5-7-17-20(9-12)30-22(23-17)24-21(26)15-6-8-18(19(10-15)27-4)28-11-16-13(2)25-29-14(16)3/h5-10H,11H2,1-4H3,(H,23,24,26)
InChIKeyPSDGPVYRRASWPG-UHFFFAOYSA-N
XLogP5.05
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 145965101
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(1,3-benzothiazol-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2108827
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 870942
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 959479
4-isopropoxy-N-{[(6-methyl-1,3-benzothiazol-2-yl)amino]carbonothioyl}benzamide
CID 1339460
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2127619
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2159227
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666526
N-(1,3-benzothiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 5171158
Benzo[1,3]dioxole-5-carboxylic acid benzothiazol-2-ylamide
CID 12004709
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 145964560

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 2102520) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is PSDGPVYRRASWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-12-5-7-17-20(9-12)30-22(23-17)24-21(26)15-6-8-18(19(10-15)27-4)28-11-16-13(2)25-29-14(16)3/h5-10H,11H2,1-4H3,(H,23,24,26).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 423.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2102520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).