[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

C24H20N2O3S — CID 55330129

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C24H20N2O3S/c27-24(21-13-16-14-28-19-7-3-1-5-17(19)22(16)30-21)26-11-9-15(10-12-26)23-25-18-6-2-4-8-20(18)29-23/h1-8,13,15H,9-12,14H2
InChIKeyIWHJHTAYALOOEI-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.47
Rot. Bonds2

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 55330129) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID55330129
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C24H20N2O3S/c27-24(21-13-16-14-28-19-7-3-1-5-17(19)22(16)30-21)26-11-9-15(10-12-26)23-25-18-6-2-4-8-20(18)29-23/h1-8,13,15H,9-12,14H2
InChIKeyIWHJHTAYALOOEI-UHFFFAOYSA-N
XLogP5.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 55330129) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is IWHJHTAYALOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-24(21-13-16-14-28-19-7-3-1-5-17(19)22(16)30-21)26-11-9-15(10-12-26)23-25-18-6-2-4-8-20(18)29-23/h1-8,13,15H,9-12,14H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 416.50 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 55330129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).