2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide

C19H20N2O3S — CID 51148585

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H20N2O3S/c1-13-17(14(2)24-20-13)12-25-18-9-5-4-8-16(18)19(22)21(3)11-15-7-6-10-23-15/h4-10H,11-12H2,1-3H3
InChIKeyZSAVXUUJCIVQAO-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.45
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 51148585) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID51148585
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1ccco1
InChIInChI=1S/C19H20N2O3S/c1-13-17(14(2)24-20-13)12-25-18-9-5-4-8-16(18)19(22)21(3)11-15-7-6-10-23-15/h4-10H,11-12H2,1-3H3
InChIKeyZSAVXUUJCIVQAO-UHFFFAOYSA-N
XLogP4.45
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
CID 112804740
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 38008055
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 47863150
N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
CID 71856433
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378051
N-[(2-bromophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide
CID 35131480
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 134022129
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 17392981

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 51148585) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide is Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1ccco1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is ZSAVXUUJCIVQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-17(14(2)24-20-13)12-25-18-9-5-4-8-16(18)19(22)21(3)11-15-7-6-10-23-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 356.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 51148585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).