N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C19H24FN3O3 — CID 18137368

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H24FN3O3/c1-19(2,3)22-16(24)12-23(4)18(25)10-9-17-21-11-15(26-17)13-7-5-6-8-14(13)20/h5-8,11H,9-10,12H2,1-4H3,(H,22,24)
InChIKeyJEWWLAZELRYDHY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 18137368) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID18137368
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H24FN3O3/c1-19(2,3)22-16(24)12-23(4)18(25)10-9-17-21-11-15(26-17)13-7-5-6-8-14(13)20/h5-8,11H,9-10,12H2,1-4H3,(H,22,24)
InChIKeyJEWWLAZELRYDHY-UHFFFAOYSA-N
XLogP2.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137364
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55487313
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596466
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3,3-dimethylbutyl 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78850724

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 18137368) is N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(CC(=O)NC(C)(C)C)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is JEWWLAZELRYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-19(2,3)22-16(24)12-23(4)18(25)10-9-17-21-11-15(26-17)13-7-5-6-8-14(13)20/h5-8,11H,9-10,12H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 361.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 18137368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).