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

C14H14ClN3O — CID 106369834

IUPAC1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c[nH]c3cc(Cl)ccc23)o1
InChIInChI=1S/C14H14ClN3O/c1-9-5-18-14(19-9)8-16-6-10-7-17-13-4-11(15)2-3-12(10)13/h2-5,7,16-17H,6,8H2,1H3
InChIKeySWKHCBLPSKGXFV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.41
Rot. Bonds4

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

1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106369834) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106369834
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c[nH]c3cc(Cl)ccc23)o1
InChIInChI=1S/C14H14ClN3O/c1-9-5-18-14(19-9)8-16-6-10-7-17-13-4-11(15)2-3-12(10)13/h2-5,7,16-17H,6,8H2,1H3
InChIKeySWKHCBLPSKGXFV-UHFFFAOYSA-N
XLogP3.41
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

2-[[(3R)-3-(1H-indol-3-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 177659748
3-chloro-4-fluoro-N-[(2-methyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 170949871
2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 71987003
2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 75420703
[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
CID 129487665
2-[[(4-chlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 45997211
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-2,5-dimethyloxazole-4-carboxamide
CID 49868911
N-(2-(5-chloro-1H-indol-3-yl)ethyl)oxazole-5-carboxamide
CID 66832046
2-Methyl-5-(3-methylindol-1-yl)-1,3-oxazole
CID 68047796
5-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-1,3-oxazole-2-carboxamide
CID 68380050
(R)-2-(1H-indol-3-yl)-1-(5-methyloxazol-2-yl)ethylamine
CID 68794148
2-(1H-indol-3-yl)-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 77554837

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106369834) is 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2c[nH]c3cc(Cl)ccc23)o1.
What is the InChIKey of 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is SWKHCBLPSKGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-5-18-14(19-9)8-16-6-10-7-17-13-4-11(15)2-3-12(10)13/h2-5,7,16-17H,6,8H2,1H3.
What are the key properties of 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 275.74 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106369834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).