[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium

C17H23ClN3O2+ — CID 8636958

IUPAC[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O2/c1-11(12-5-7-13(18)8-6-12)19-10-15(22)20-16-9-14(21-23-16)17(2,3)4/h5-9,11,19H,10H2,1-4H3,(H,20,22)/p+1/t11-/m0/s1
InChIKeyXROAJMRRVHVSIU-NSHDSACASA-O
MW336.84 g/mol
LogP2.89
Rot. Bonds5

About [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium (PubChem CID 8636958) has the molecular formula C17H23ClN3O2+ and a molecular weight of 336.84 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
PubChem CID8636958
Molecular FormulaC17H23ClN3O2+
Molecular Weight336.84 g/mol
Exact Mass336.15
IUPAC Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O2/c1-11(12-5-7-13(18)8-6-12)19-10-15(22)20-16-9-14(21-23-16)17(2,3)4/h5-9,11,19H,10H2,1-4H3,(H,20,22)/p+1/t11-/m0/s1
InChIKeyXROAJMRRVHVSIU-NSHDSACASA-O
XLogP2.89
TPSA71.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium with MolForge

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7627100
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 51248804
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9335122
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
CID 9335625
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335785
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium (CID 8636958) is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium?
The InChIKey is XROAJMRRVHVSIU-NSHDSACASA-O. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(12-5-7-13(18)8-6-12)19-10-15(22)20-16-9-14(21-23-16)17(2,3)4/h5-9,11,19H,10H2,1-4H3,(H,20,22)/p+1/t11-/m0/s1.
What are the key properties of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium?
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium has a molecular weight of 336.84 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 8636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).