(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole

C21H22N2O4 — CID 10044425

IUPAC(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cc([C@H]2CN=C(c3ccc4c(ccn4C)c3)O2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyVVXYHELHUZGLHK-LJQANCHMSA-N
MW366.42 g/mol
LogP3.72
Rot. Bonds5

About (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole

(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 10044425) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID10044425
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1cc([C@H]2CN=C(c3ccc4c(ccn4C)c3)O2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
InChIKeyVVXYHELHUZGLHK-LJQANCHMSA-N
XLogP3.72
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 10044425) is (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1cc([C@H]2CN=C(c3ccc4c(ccn4C)c3)O2)cc(OC)c1OC.
What is the InChIKey of (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is VVXYHELHUZGLHK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1.
What are the key properties of (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole?
(5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 366.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10044425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).