N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide

C21H25N5O2 — CID 163357235

IUPACN-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)19(27)24-18-9-8-15(14-22-18)25-10-12-26(13-11-25)20-23-16-6-4-5-7-17(16)28-20/h4-9,14H,10-13H2,1-3H3,(H,22,24,27)
InChIKeyVFYVNQAEHRRKDU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.53
Rot. Bonds3

About N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 163357235) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID163357235
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)19(27)24-18-9-8-15(14-22-18)25-10-12-26(13-11-25)20-23-16-6-4-5-7-17(16)28-20/h4-9,14H,10-13H2,1-3H3,(H,22,24,27)
InChIKeyVFYVNQAEHRRKDU-UHFFFAOYSA-N
XLogP3.53
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 163357235) is N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is VFYVNQAEHRRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,3)19(27)24-18-9-8-15(14-22-18)25-10-12-26(13-11-25)20-23-16-6-4-5-7-17(16)28-20/h4-9,14H,10-13H2,1-3H3,(H,22,24,27).
What are the key properties of N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163357235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).