N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine

C15H17N3O — CID 66408430

IUPACN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCNCc1cn(Cc2cc(C)no2)c2ccccc12
InChIInChI=1S/C15H17N3O/c1-11-7-13(19-17-11)10-18-9-12(8-16-2)14-5-3-4-6-15(14)18/h3-7,9,16H,8,10H2,1-2H3
InChIKeyRTJBSLMQTXALIO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine

N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine (PubChem CID 66408430) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine
PubChem CID66408430
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine
SMILESCNCc1cn(Cc2cc(C)no2)c2ccccc12
InChIInChI=1S/C15H17N3O/c1-11-7-13(19-17-11)10-18-9-12(8-16-2)14-5-3-4-6-15(14)18/h3-7,9,16H,8,10H2,1-2H3
InChIKeyRTJBSLMQTXALIO-UHFFFAOYSA-N
XLogP2.71
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine (CID 66408430) is N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine is CNCc1cn(Cc2cc(C)no2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine?
The InChIKey is RTJBSLMQTXALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-7-13(19-17-11)10-18-9-12(8-16-2)14-5-3-4-6-15(14)18/h3-7,9,16H,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine?
N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66408430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).