(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine

C17H21N3O2 — CID 159605676

IUPAC(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc2c(cc1-c1cnco1)CC([C@H](N)CC(C)C)=N2
InChIInChI=1S/C17H21N3O2/c1-10(2)4-13(18)15-6-11-5-12(17-8-19-9-22-17)16(21-3)7-14(11)20-15/h5,7-10,13H,4,6,18H2,1-3H3/t13-/m1/s1
InChIKeyWLLVYFPIPTVXFY-CYBMUJFWSA-N
MW299.37 g/mol
LogP3.35
Rot. Bonds5

About (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine

(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine (PubChem CID 159605676) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
PubChem CID159605676
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc2c(cc1-c1cnco1)CC([C@H](N)CC(C)C)=N2
InChIInChI=1S/C17H21N3O2/c1-10(2)4-13(18)15-6-11-5-12(17-8-19-9-22-17)16(21-3)7-14(11)20-15/h5,7-10,13H,4,6,18H2,1-3H3/t13-/m1/s1
InChIKeyWLLVYFPIPTVXFY-CYBMUJFWSA-N
XLogP3.35
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine (CID 159605676) is (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine is COc1cc2c(cc1-c1cnco1)CC([C@H](N)CC(C)C)=N2.
What is the InChIKey of (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine?
The InChIKey is WLLVYFPIPTVXFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10(2)4-13(18)15-6-11-5-12(17-8-19-9-22-17)16(21-3)7-14(11)20-15/h5,7-10,13H,4,6,18H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine?
(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine has a molecular weight of 299.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 159605676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).