N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

C16H20N4O — CID 10401626

IUPACN,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
InChIInChI=1S/C16H20N4O/c1-11-18-16(21-19-11)9-12-4-5-15-14(8-12)13(10-17-15)6-7-20(2)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyPBIQSWDDDJWZKX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds5

About N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (PubChem CID 10401626) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
PubChem CID10401626
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
SMILESCc1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
InChIInChI=1S/C16H20N4O/c1-11-18-16(21-19-11)9-12-4-5-15-14(8-12)13(10-17-15)6-7-20(2)3/h4-5,8,10,17H,6-7,9H2,1-3H3
InChIKeyPBIQSWDDDJWZKX-UHFFFAOYSA-N
XLogP2.55
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine with MolForge

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Related Compounds

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine
CID 132059
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzenesulfonamide
CID 11742355
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
N-[4-[[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 9980618
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
N-[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine (CID 10401626) is N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is Cc1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is PBIQSWDDDJWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-16(21-19-11)9-12-4-5-15-14(8-12)13(10-17-15)6-7-20(2)3/h4-5,8,10,17H,6-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10401626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).