N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine

C15H17N3O — CID 104889469

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
SMILESCCc1cnc(CNCc2cccc3cc[nH]c23)o1
InChIInChI=1S/C15H17N3O/c1-2-13-9-18-14(19-13)10-16-8-12-5-3-4-11-6-7-17-15(11)12/h3-7,9,16-17H,2,8,10H2,1H3
InChIKeyVCCKUFFHXBURBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.01
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine (PubChem CID 104889469) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
PubChem CID104889469
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
SMILESCCc1cnc(CNCc2cccc3cc[nH]c23)o1
InChIInChI=1S/C15H17N3O/c1-2-13-9-18-14(19-13)10-16-8-12-5-3-4-11-6-7-17-15(11)12/h3-7,9,16-17H,2,8,10H2,1H3
InChIKeyVCCKUFFHXBURBN-UHFFFAOYSA-N
XLogP3.01
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine (CID 104889469) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine is CCc1cnc(CNCc2cccc3cc[nH]c23)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine?
The InChIKey is VCCKUFFHXBURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-13-9-18-14(19-13)10-16-8-12-5-3-4-11-6-7-17-15(11)12/h3-7,9,16-17H,2,8,10H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine is sourced from PubChem (CID 104889469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).