N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C14H15N3O — CID 62325414

IUPACN-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CNCc2c[nH]c3ccccc23)on1
InChIInChI=1S/C14H15N3O/c1-10-6-12(18-17-10)9-15-7-11-8-16-14-5-3-2-4-13(11)14/h2-6,8,15-16H,7,9H2,1H3
InChIKeyRCIMUEBERYKKPO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.75
Rot. Bonds4

About N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 62325414) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID62325414
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CNCc2c[nH]c3ccccc23)on1
InChIInChI=1S/C14H15N3O/c1-10-6-12(18-17-10)9-15-7-11-8-16-14-5-3-2-4-13(11)14/h2-6,8,15-16H,7,9H2,1H3
InChIKeyRCIMUEBERYKKPO-UHFFFAOYSA-N
XLogP2.75
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride
CID 127031235
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-N-(1H-indol-3-ylmethyl)methanamine;hydrochloride
CID 127029657
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 28781264
2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
CID 71789720
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 70211742
1-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62325597
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 62325414) is N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine is Cc1cc(CNCc2c[nH]c3ccccc23)on1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is RCIMUEBERYKKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-6-12(18-17-10)9-15-7-11-8-16-14-5-3-2-4-13(11)14/h2-6,8,15-16H,7,9H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 62325414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).