N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol

C18H26ClN3O2S — CID 143852097

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
SMILESCNC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.Sc1ccc(Cl)cc1
InChIInChI=1S/C12H21N3O2.C6H5ClS/c1-11(2,3)8-7-9(15-17-8)14-10(16)12(4,5)13-6;7-5-1-3-6(8)4-2-5/h7,13H,1-6H3,(H,14,15,16);1-4,8H
InChIKeyKIQNWJLUNOSURF-UHFFFAOYSA-N
MW383.95 g/mol
LogP4.54
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol (PubChem CID 143852097) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
PubChem CID143852097
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol
SMILESCNC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.Sc1ccc(Cl)cc1
InChIInChI=1S/C12H21N3O2.C6H5ClS/c1-11(2,3)8-7-9(15-17-8)14-10(16)12(4,5)13-6;7-5-1-3-6(8)4-2-5/h7,13H,1-6H3,(H,14,15,16);1-4,8H
InChIKeyKIQNWJLUNOSURF-UHFFFAOYSA-N
XLogP4.54
TPSA67.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
2-methyl-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62836911
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dichlorophenyl)sulfonyl-2-methylpropanamide
CID 59662620
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(4-chlorophenyl)methyl]thiourea
CID 19687484
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
CID 58990227
CID 58990227
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 35524710
5-tert-butyl-N'-(4-chlorobenzoyl)-1,2-oxazole-3-carbohydrazide
CID 2744591
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol (CID 143852097) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol is CNC(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.Sc1ccc(Cl)cc1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol?
The InChIKey is KIQNWJLUNOSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.C6H5ClS/c1-11(2,3)8-7-9(15-17-8)14-10(16)12(4,5)13-6;7-5-1-3-6(8)4-2-5/h7,13H,1-6H3,(H,14,15,16);1-4,8H.
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol has a molecular weight of 383.95 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(methylamino)propanamide;4-chlorobenzenethiol is sourced from PubChem (CID 143852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).