4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide

C24H26N4O2 — CID 68745687

IUPAC4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCNCC4)cc3)oc12
InChIInChI=1S/C24H26N4O2/c1-15(2)20-11-17(13-25)12-21-22(20)30-24(28-21)19-5-3-18(4-6-19)23(29)27-14-16-7-9-26-10-8-16/h3-6,11-12,15-16,26H,7-10,14H2,1-2H3,(H,27,29)
InChIKeyOFYMHKMEMVLADE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.22
Rot. Bonds5

About 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide

4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 68745687) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID68745687
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide
SMILESCC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCNCC4)cc3)oc12
InChIInChI=1S/C24H26N4O2/c1-15(2)20-11-17(13-25)12-21-22(20)30-24(28-21)19-5-3-18(4-6-19)23(29)27-14-16-7-9-26-10-8-16/h3-6,11-12,15-16,26H,7-10,14H2,1-2H3,(H,27,29)
InChIKeyOFYMHKMEMVLADE-UHFFFAOYSA-N
XLogP4.22
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide (CID 68745687) is 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide is CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCNCC4)cc3)oc12.
What is the InChIKey of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is OFYMHKMEMVLADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(2)20-11-17(13-25)12-21-22(20)30-24(28-21)19-5-3-18(4-6-19)23(29)27-14-16-7-9-26-10-8-16/h3-6,11-12,15-16,26H,7-10,14H2,1-2H3,(H,27,29).
What are the key properties of 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide?
4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 68745687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).