[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

C27H23ClN4O3 — CID 55866099

IUPAC[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C27H23ClN4O3/c28-20-7-8-24-23(15-20)30-26(35-24)18-9-12-31(13-10-18)27(33)19-4-3-5-22(14-19)34-17-21-16-32-11-2-1-6-25(32)29-21/h1-8,11,14-16,18H,9-10,12-13,17H2
InChIKeySJEBOJDRDWXEFL-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.73
Rot. Bonds5

About [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 55866099) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID55866099
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C27H23ClN4O3/c28-20-7-8-24-23(15-20)30-26(35-24)18-9-12-31(13-10-18)27(33)19-4-3-5-22(14-19)34-17-21-16-32-11-2-1-6-25(32)29-21/h1-8,11,14-16,18H,9-10,12-13,17H2
InChIKeySJEBOJDRDWXEFL-UHFFFAOYSA-N
XLogP5.73
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (CID 55866099) is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is SJEBOJDRDWXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c28-20-7-8-24-23(15-20)30-26(35-24)18-9-12-31(13-10-18)27(33)19-4-3-5-22(14-19)34-17-21-16-32-11-2-1-6-25(32)29-21/h1-8,11,14-16,18H,9-10,12-13,17H2.
What are the key properties of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 486.96 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 55866099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).