N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine

C15H17N3O — CID 102911385

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H17N3O/c1-10-14(11(2)19-18-10)9-16-8-12-3-4-13-5-6-17-15(13)7-12/h3-7,16-17H,8-9H2,1-2H3
InChIKeyHMRGLYSYITZTQL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.06
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine (PubChem CID 102911385) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
PubChem CID102911385
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCc1noc(C)c1CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H17N3O/c1-10-14(11(2)19-18-10)9-16-8-12-3-4-13-5-6-17-15(13)7-12/h3-7,16-17H,8-9H2,1-2H3
InChIKeyHMRGLYSYITZTQL-UHFFFAOYSA-N
XLogP3.06
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437907
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 79235965
N-(furan-3-ylmethyl)-1-(1H-indol-6-yl)methanamine
CID 102912129
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 78983738
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 61240789
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107422
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 112730010
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911461
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]naphthalen-2-ol
CID 78916549

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine (CID 102911385) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine is Cc1noc(C)c1CNCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The InChIKey is HMRGLYSYITZTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-14(11(2)19-18-10)9-16-8-12-3-4-13-5-6-17-15(13)7-12/h3-7,16-17H,8-9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine is sourced from PubChem (CID 102911385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).