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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Related Compounds

2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole
CID 22238481
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-5-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507826
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507881
(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506765
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(4,5-dimethylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647569
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
N-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1H-indole-2-carboxamide
CID 44350642
N-[7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-indole-2-carboxamide
CID 44350643
5-fluoro-2-(1H-indol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555125

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).