[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

C17H19N3O5 — CID 31434734

IUPAC[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1c(=O)oc2ccccc21)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H19N3O5/c1-10(14-18-15(19-25-14)17(2,3)4)23-13(21)9-20-11-7-5-6-8-12(11)24-16(20)22/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyRDMSXWCHTALTEA-JTQLQIEISA-N
MW345.36 g/mol
LogP2.58
Rot. Bonds4

About [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate

[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 31434734) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID31434734
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1c(=O)oc2ccccc21)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H19N3O5/c1-10(14-18-15(19-25-14)17(2,3)4)23-13(21)9-20-11-7-5-6-8-12(11)24-16(20)22/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKeyRDMSXWCHTALTEA-JTQLQIEISA-N
XLogP2.58
TPSA100.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate with MolForge

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Related Compounds

1-(2-chlorophenyl)ethyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18277911
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-methoxyanilino)acetate
CID 95347851
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18228530
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400857
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 55553491
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400679
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400302
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400920
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400292
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate (CID 31434734) is [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is C[C@H](OC(=O)Cn1c(=O)oc2ccccc21)c1nc(C(C)(C)C)no1.
What is the InChIKey of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is RDMSXWCHTALTEA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10(14-18-15(19-25-14)17(2,3)4)23-13(21)9-20-11-7-5-6-8-12(11)24-16(20)22/h5-8,10H,9H2,1-4H3/t10-/m0/s1.
What are the key properties of [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate?
[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 345.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 31434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).