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

C20H26N2O3S — CID 71856433

IUPACN-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C20H26N2O3S/c1-14-18(15(2)25-21-14)13-26-19-7-5-4-6-17(19)20(23)22(3)10-11-24-12-16-8-9-16/h4-7,16H,8-13H2,1-3H3
InChIKeyOAICSEFPMHMWBO-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.08
Rot. Bonds9

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

N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide (PubChem CID 71856433) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
PubChem CID71856433
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C20H26N2O3S/c1-14-18(15(2)25-21-14)13-26-19-7-5-4-6-17(19)20(23)22(3)10-11-24-12-16-8-9-16/h4-7,16H,8-13H2,1-3H3
InChIKeyOAICSEFPMHMWBO-UHFFFAOYSA-N
XLogP4.08
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 51148585
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 38008055
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 17392981
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
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 55806159
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate
CID 7270043
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541145
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562671
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 120817912

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide (CID 71856433) is N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide is Cc1noc(C)c1CSc1ccccc1C(=O)N(C)CCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
The InChIKey is OAICSEFPMHMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-18(15(2)25-21-14)13-26-19-7-5-4-6-17(19)20(23)22(3)10-11-24-12-16-8-9-16/h4-7,16H,8-13H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide?
N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylbenzamide is sourced from PubChem (CID 71856433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).