2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide

C19H17Cl2N3O2 — CID 162653612

IUPAC2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C19H17Cl2N3O2/c20-13-7-12(8-14(21)10-13)19-24-16-2-1-11(9-17(16)26-19)18(25)23-15-3-5-22-6-4-15/h1-2,7-10,15,22H,3-6H2,(H,23,25)
InChIKeyXPPHCRYZBMHRQV-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.28
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide

2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 162653612) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide
PubChem CID162653612
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C19H17Cl2N3O2/c20-13-7-12(8-14(21)10-13)19-24-16-2-1-11(9-17(16)26-19)18(25)23-15-3-5-22-6-4-15/h1-2,7-10,15,22H,3-6H2,(H,23,25)
InChIKeyXPPHCRYZBMHRQV-UHFFFAOYSA-N
XLogP4.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide (CID 162653612) is 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide is O=C(NC1CCNCC1)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is XPPHCRYZBMHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-13-7-12(8-14(21)10-13)19-24-16-2-1-11(9-17(16)26-19)18(25)23-15-3-5-22-6-4-15/h1-2,7-10,15,22H,3-6H2,(H,23,25).
What are the key properties of 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide?
2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-piperidin-4-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 162653612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).