5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole

C17H17N3O — CID 71942846

IUPAC5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccno2)C1
InChIInChI=1S/C17H17N3O/c1-2-4-17-15(3-1)16(11-18-17)13-6-9-20(10-7-13)12-14-5-8-19-21-14/h1-6,8,11,18H,7,9-10,12H2
InChIKeyLYWHEALQSOQDHC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.45
Rot. Bonds3

About 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole

5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole (PubChem CID 71942846) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
PubChem CID71942846
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccno2)C1
InChIInChI=1S/C17H17N3O/c1-2-4-17-15(3-1)16(11-18-17)13-6-9-20(10-7-13)12-14-5-8-19-21-14/h1-6,8,11,18H,7,9-10,12H2
InChIKeyLYWHEALQSOQDHC-UHFFFAOYSA-N
XLogP3.45
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
5-chloro-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 39975216
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 71943011
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11164277
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
CID 141312275
2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 44535079
3-[1-[(2-bromo-5-chloro-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 167750941
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole (CID 71942846) is 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole is C1=C(c2c[nH]c3ccccc23)CCN(Cc2ccno2)C1.
What is the InChIKey of 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole?
The InChIKey is LYWHEALQSOQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-4-17-15(3-1)16(11-18-17)13-6-9-20(10-7-13)12-14-5-8-19-21-14/h1-6,8,11,18H,7,9-10,12H2.
What are the key properties of 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole?
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole has a molecular weight of 279.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71942846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).