N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine

C15H18N4O — CID 102916137

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(ccn2Cc2ncon2)c1
InChIInChI=1S/C15H18N4O/c1-11(2)16-8-12-3-4-14-13(7-12)5-6-19(14)9-15-17-10-20-18-15/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyXDVLIZRTAUFKLQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.57
Rot. Bonds5

About N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine (PubChem CID 102916137) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
PubChem CID102916137
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(ccn2Cc2ncon2)c1
InChIInChI=1S/C15H18N4O/c1-11(2)16-8-12-3-4-14-13(7-12)5-6-19(14)9-15-17-10-20-18-15/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyXDVLIZRTAUFKLQ-UHFFFAOYSA-N
XLogP2.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916807
2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
CID 102916132
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
CID 102916861
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-[[3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347106
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
CID 102916032
2-[1-[[5-[(propan-2-ylamino)methyl]indol-1-yl]methyl]cyclopropyl]acetonitrile
CID 102916065
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915694
N-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine (CID 102916137) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine is CC(C)NCc1ccc2c(ccn2Cc2ncon2)c1.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine?
The InChIKey is XDVLIZRTAUFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)16-8-12-3-4-14-13(7-12)5-6-19(14)9-15-17-10-20-18-15/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)indol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 102916137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).