N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride

C19H18ClN3O — CID 127031235

IUPACN-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCl.c1ccc(-c2cc(CNCc3c[nH]c4ccccc34)on2)cc1
InChIInChI=1S/C19H17N3O.ClH/c1-2-6-14(7-3-1)19-10-16(23-22-19)13-20-11-15-12-21-18-9-5-4-8-17(15)18;/h1-10,12,20-21H,11,13H2;1H
InChIKeyYIFWZTSLUBQPOQ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.53
Rot. Bonds5

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

N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 127031235) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID127031235
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCl.c1ccc(-c2cc(CNCc3c[nH]c4ccccc34)on2)cc1
InChIInChI=1S/C19H17N3O.ClH/c1-2-6-14(7-3-1)19-10-16(23-22-19)13-20-11-15-12-21-18-9-5-4-8-17(15)18;/h1-10,12,20-21H,11,13H2;1H
InChIKeyYIFWZTSLUBQPOQ-UHFFFAOYSA-N
XLogP4.53
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-N-(1H-indol-3-ylmethyl)methanamine;hydrochloride
CID 127029657
N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 62325414
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 56530041
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
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
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-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 127031235) is N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride is Cl.c1ccc(-c2cc(CNCc3c[nH]c4ccccc34)on2)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is YIFWZTSLUBQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.ClH/c1-2-6-14(7-3-1)19-10-16(23-22-19)13-20-11-15-12-21-18-9-5-4-8-17(15)18;/h1-10,12,20-21H,11,13H2;1H.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
N-(1H-indol-3-ylmethyl)-1-(3-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 4.53, 5 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-phenyl-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 127031235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).