N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine

C16H19N3O — CID 10445796

IUPACN,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
SMILESCc1cnc(-c2ccc3[nH]cc(CCN(C)C)c3c2)o1
InChIInChI=1S/C16H19N3O/c1-11-9-18-16(20-11)12-4-5-15-14(8-12)13(10-17-15)6-7-19(2)3/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyPVDKAFLWERYGPI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.24
Rot. Bonds4

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

N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10445796) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
PubChem CID10445796
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
SMILESCc1cnc(-c2ccc3[nH]cc(CCN(C)C)c3c2)o1
InChIInChI=1S/C16H19N3O/c1-11-9-18-16(20-11)12-4-5-15-14(8-12)13(10-17-15)6-7-19(2)3/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyPVDKAFLWERYGPI-UHFFFAOYSA-N
XLogP3.24
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine (CID 10445796) is N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine is Cc1cnc(-c2ccc3[nH]cc(CCN(C)C)c3c2)o1.
What is the InChIKey of N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is PVDKAFLWERYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-9-18-16(20-11)12-4-5-15-14(8-12)13(10-17-15)6-7-19(2)3/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).