4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide

C19H21N5O2 — CID 154563389

IUPAC4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NCc3nc4ncccc4o3)cc2)CC1
InChIInChI=1S/C19H21N5O2/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)19(25)21-13-17-22-18-16(26-17)3-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,25)
InChIKeyHHPLAIDECLGPDY-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.90
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide

4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide (PubChem CID 154563389) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
PubChem CID154563389
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)NCc3nc4ncccc4o3)cc2)CC1
InChIInChI=1S/C19H21N5O2/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)19(25)21-13-17-22-18-16(26-17)3-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,25)
InChIKeyHHPLAIDECLGPDY-UHFFFAOYSA-N
XLogP1.90
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-yl-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 146041738
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)-2H-benzotriazole-4-carboxamide
CID 146038711
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)acetamide
CID 146046948
N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70717506
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 122571012
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989
N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177376836
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)butan-2-one
CID 83859254

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide (CID 154563389) is 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide is CN1CCN(c2ccc(C(=O)NCc3nc4ncccc4o3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide?
The InChIKey is HHPLAIDECLGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-9-11-24(12-10-23)15-6-4-14(5-7-15)19(25)21-13-17-22-18-16(26-17)3-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide?
4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 154563389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).