(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine

C21H27N3O2 — CID 71694317

IUPAC(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-21(2,3)19-14-26-20(22-19)18-13-25-10-9-24(18)12-15-11-23(4)17-8-6-5-7-16(15)17/h5-8,11,14,18H,9-10,12-13H2,1-4H3/t18-/m0/s1
InChIKeyYAXNQUOVIZNWDQ-SFHVURJKSA-N
MW353.47 g/mol
LogP4.04
Rot. Bonds3

About (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine

(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine (PubChem CID 71694317) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine
PubChem CID71694317
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-21(2,3)19-14-26-20(22-19)18-13-25-10-9-24(18)12-15-11-23(4)17-8-6-5-7-16(15)17/h5-8,11,14,18H,9-10,12-13H2,1-4H3/t18-/m0/s1
InChIKeyYAXNQUOVIZNWDQ-SFHVURJKSA-N
XLogP4.04
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine?
The IUPAC name of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine (CID 71694317) is (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine is Cn1cc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)c2ccccc21.
What is the InChIKey of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine?
The InChIKey is YAXNQUOVIZNWDQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)19-14-26-20(22-19)18-13-25-10-9-24(18)12-15-11-23(4)17-8-6-5-7-16(15)17/h5-8,11,14,18H,9-10,12-13H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine?
(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)-4-[(1-methylindol-3-yl)methyl]morpholine is sourced from PubChem (CID 71694317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).