3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide

C27H28N4O2 — CID 162651499

IUPAC3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C27H28N4O2/c32-26(13-14-30-15-17-31(18-16-30)20-21-7-3-1-4-8-21)28-23-11-12-24-25(19-23)33-27(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32)
InChIKeyHMWSWFOOQRHGFF-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.64
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide (PubChem CID 162651499) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide
PubChem CID162651499
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(-c3ccccc3)oc2c1
InChIInChI=1S/C27H28N4O2/c32-26(13-14-30-15-17-31(18-16-30)20-21-7-3-1-4-8-21)28-23-11-12-24-25(19-23)33-27(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32)
InChIKeyHMWSWFOOQRHGFF-UHFFFAOYSA-N
XLogP4.64
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide (CID 162651499) is 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(-c3ccccc3)oc2c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is HMWSWFOOQRHGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-26(13-14-30-15-17-31(18-16-30)20-21-7-3-1-4-8-21)28-23-11-12-24-25(19-23)33-27(29-24)22-9-5-2-6-10-22/h1-12,19H,13-18,20H2,(H,28,32).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 440.55 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 162651499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).