N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide

C18H24ClN3O2 — CID 119640145

IUPACN-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H24ClN3O2/c1-3-18(20,4-2)12-22-16(23)9-10-17-21-11-15(24-17)13-7-5-6-8-14(13)19/h5-8,11H,3-4,9-10,12,20H2,1-2H3,(H,22,23)
InChIKeyCUYVGXJPPMPUPW-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.56
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 119640145) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID119640145
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H24ClN3O2/c1-3-18(20,4-2)12-22-16(23)9-10-17-21-11-15(24-17)13-7-5-6-8-14(13)19/h5-8,11H,3-4,9-10,12,20H2,1-2H3,(H,22,23)
InChIKeyCUYVGXJPPMPUPW-UHFFFAOYSA-N
XLogP3.56
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 34689755
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 16596708
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 24612508
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2R)-2-ethylcyclopropyl]propanamide
CID 95628030
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S,2S)-2-ethylcyclopropyl]propanamide
CID 95628031
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenoxypropyl)propanamide
CID 18137997
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 30528420
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]propanamide
CID 43067351

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 119640145) is N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is CCC(N)(CC)CNC(=O)CCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is CUYVGXJPPMPUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-3-18(20,4-2)12-22-16(23)9-10-17-21-11-15(24-17)13-7-5-6-8-14(13)19/h5-8,11H,3-4,9-10,12,20H2,1-2H3,(H,22,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 349.86 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 119640145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).