(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole

C22H24N2O — CID 139254560

IUPAC(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCn1cc(C(C)(C)CC2=N[C@H](c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C22H24N2O/c1-22(2,18-14-24(3)20-12-8-7-11-17(18)20)13-21-23-19(15-25-21)16-9-5-4-6-10-16/h4-12,14,19H,13,15H2,1-3H3/t19-/m0/s1
InChIKeyLSUWJERMEGNGNQ-IBGZPJMESA-N
MW332.45 g/mol
LogP5.02
Rot. Bonds4

About (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 139254560) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID139254560
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCn1cc(C(C)(C)CC2=N[C@H](c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C22H24N2O/c1-22(2,18-14-24(3)20-12-8-7-11-17(18)20)13-21-23-19(15-25-21)16-9-5-4-6-10-16/h4-12,14,19H,13,15H2,1-3H3/t19-/m0/s1
InChIKeyLSUWJERMEGNGNQ-IBGZPJMESA-N
XLogP5.02
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Indole, 14
CID 44473055
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44397102
1-ethyl-3-{4-[2-(methylthio)ethyl]-4,5-dihydro-1,3-oxazol-2-yl}-1H-indole
CID 3424689
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
1H-Indole, 1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CID 563919
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
Dimethyl-[2-(1-phenethyl-1H-indol-3-yl)-ethyl]-amine
CID 3028955

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 139254560) is (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole is Cn1cc(C(C)(C)CC2=N[C@H](c3ccccc3)CO2)c2ccccc21.
What is the InChIKey of (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LSUWJERMEGNGNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O/c1-22(2,18-14-24(3)20-12-8-7-11-17(18)20)13-21-23-19(15-25-21)16-9-5-4-6-10-16/h4-12,14,19H,13,15H2,1-3H3/t19-/m0/s1.
What are the key properties of (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 332.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[2-methyl-2-(1-methylindol-3-yl)propyl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139254560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).