1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole

C19H18N4OS — CID 161055378

IUPAC1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESC1=C(c2c[nH]c3ccc(-c4nccs4)cc23)CCNC1.c1cocn1
InChIInChI=1S/C16H15N3S.C3H3NO/c1-2-15-13(9-12(1)16-18-7-8-20-16)14(10-19-15)11-3-5-17-6-4-11;1-2-5-3-4-1/h1-3,7-10,17,19H,4-6H2;1-3H
InChIKeyUCRHDWDRNLALJB-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.34
Rot. Bonds2

About 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole

1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (PubChem CID 161055378) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
PubChem CID161055378
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESC1=C(c2c[nH]c3ccc(-c4nccs4)cc23)CCNC1.c1cocn1
InChIInChI=1S/C16H15N3S.C3H3NO/c1-2-15-13(9-12(1)16-18-7-8-20-16)14(10-19-15)11-3-5-17-6-4-11;1-2-5-3-4-1/h1-3,7-10,17,19H,4-6H2;1-3H
InChIKeyUCRHDWDRNLALJB-UHFFFAOYSA-N
XLogP4.34
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The IUPAC name of 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (CID 161055378) is 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole.
What is the SMILES notation for 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The canonical SMILES for 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole is C1=C(c2c[nH]c3ccc(-c4nccs4)cc23)CCNC1.c1cocn1.
What is the InChIKey of 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The InChIKey is UCRHDWDRNLALJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S.C3H3NO/c1-2-15-13(9-12(1)16-18-7-8-20-16)14(10-19-15)11-3-5-17-6-4-11;1-2-5-3-4-1/h1-3,7-10,17,19H,4-6H2;1-3H.
What are the key properties of 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 350.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;2-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole is sourced from PubChem (CID 161055378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).