tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate

C23H24Cl2N2O3 — CID 163431571

IUPACtert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)ccc21
InChIInChI=1S/C23H24Cl2N2O3/c1-22(2,3)29-21(28)27-8-7-15-9-14(5-6-20(15)27)19-13-23(4,30-26-19)16-10-17(24)12-18(25)11-16/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyAQYARDZIDQKOMF-UHFFFAOYSA-N
MW447.36 g/mol
LogP6.33
Rot. Bonds2

About tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate

tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate (PubChem CID 163431571) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate
PubChem CID163431571
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC Nametert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)ccc21
InChIInChI=1S/C23H24Cl2N2O3/c1-22(2,3)29-21(28)27-8-7-15-9-14(5-6-20(15)27)19-13-23(4,30-26-19)16-10-17(24)12-18(25)11-16/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyAQYARDZIDQKOMF-UHFFFAOYSA-N
XLogP6.33
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 118198881
5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-fluoroethyl)-2,3-dihydroindole-1-carboxamide
CID 118218966
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 58338620
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]phenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 149219857
1-[4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylphenyl]sulfanyl-5,5,5-trifluoropentan-2-one
CID 147310125
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoic acid;methane;methyl 4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 158222560
tert-butyl 5-(4-phenylmethoxyphenyl)-2,3-dihydroindole-1-carboxylate
CID 58020909
tert-butyl 5-(3-cyano-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydroindole-1-carboxylate
CID 25012788
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate (CID 163431571) is tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(C3=NOC(C)(c4cc(Cl)cc(Cl)c4)C3)ccc21.
What is the InChIKey of tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate?
The InChIKey is AQYARDZIDQKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c1-22(2,3)29-21(28)27-8-7-15-9-14(5-6-20(15)27)19-13-23(4,30-26-19)16-10-17(24)12-18(25)11-16/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate has a molecular weight of 447.36 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 163431571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).