(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine

C14H15N3O — CID 82387349

IUPAC(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1coc([C@@H](N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N3O/c1-9-8-18-14(17-9)12(15)6-10-7-16-13-5-3-2-4-11(10)13/h2-5,7-8,12,16H,6,15H2,1H3/t12-/m0/s1
InChIKeyNEFSZVWZDOBFAM-LBPRGKRZSA-N
MW241.29 g/mol
LogP2.71
Rot. Bonds3

About (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine

(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 82387349) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID82387349
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1coc([C@@H](N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N3O/c1-9-8-18-14(17-9)12(15)6-10-7-16-13-5-3-2-4-11(10)13/h2-5,7-8,12,16H,6,15H2,1H3/t12-/m0/s1
InChIKeyNEFSZVWZDOBFAM-LBPRGKRZSA-N
XLogP2.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3303836
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3807076
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
CID 10544189
(1S)-2-(1H-indol-3-yl)-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
CID 6602709
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(1R)-2-(1H-indol-3-yl)-1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 6556882
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(1S)-2-(1H-indol-3-yl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 104911666
ethyl 2-[[2-[1-amino-2-(1H-indol-3-yl)ethyl]-1,3-oxazole-4-carbonyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoate
CID 3311268

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine (CID 82387349) is (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine is Cc1coc([C@@H](N)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is NEFSZVWZDOBFAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-8-18-14(17-9)12(15)6-10-7-16-13-5-3-2-4-11(10)13/h2-5,7-8,12,16H,6,15H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine?
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 82387349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).