[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone

C22H19ClN2O3 — CID 55767338

IUPAC[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H19ClN2O3/c23-17-5-6-20-18(12-17)24-21(28-20)14-7-9-25(10-8-14)22(26)16-11-15-3-1-2-4-19(15)27-13-16/h1-6,11-12,14H,7-10,13H2
InChIKeyHYRYNJOVCZSHTA-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.66
Rot. Bonds2

About [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone (PubChem CID 55767338) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
PubChem CID55767338
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H19ClN2O3/c23-17-5-6-20-18(12-17)24-21(28-20)14-7-9-25(10-8-14)22(26)16-11-15-3-1-2-4-19(15)27-13-16/h1-6,11-12,14H,7-10,13H2
InChIKeyHYRYNJOVCZSHTA-UHFFFAOYSA-N
XLogP4.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone (CID 55767338) is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone is O=C(C1=Cc2ccccc2OC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
The InChIKey is HYRYNJOVCZSHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-17-5-6-20-18(12-17)24-21(28-20)14-7-9-25(10-8-14)22(26)16-11-15-3-1-2-4-19(15)27-13-16/h1-6,11-12,14H,7-10,13H2.
What are the key properties of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone?
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone has a molecular weight of 394.86 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone is sourced from PubChem (CID 55767338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).