N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide

C22H26N6O2 — CID 90838861

IUPACN-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCNCC2)cc1N(c1cccnc1)c1ncco1
InChIInChI=1S/C22H26N6O2/c1-17-4-5-18(26-21(29)6-11-27-12-8-23-9-13-27)15-20(17)28(22-25-10-14-30-22)19-3-2-7-24-16-19/h2-5,7,10,14-16,23H,6,8-9,11-13H2,1H3,(H,26,29)
InChIKeyVXMKFFZSGJGCKC-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.08
Rot. Bonds7

About N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide

N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide (PubChem CID 90838861) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
PubChem CID90838861
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCNCC2)cc1N(c1cccnc1)c1ncco1
InChIInChI=1S/C22H26N6O2/c1-17-4-5-18(26-21(29)6-11-27-12-8-23-9-13-27)15-20(17)28(22-25-10-14-30-22)19-3-2-7-24-16-19/h2-5,7,10,14-16,23H,6,8-9,11-13H2,1H3,(H,26,29)
InChIKeyVXMKFFZSGJGCKC-UHFFFAOYSA-N
XLogP3.08
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide with MolForge

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91095968
N-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-piperazin-1-ylpropanamide
CID 11246764
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 91153862
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
CID 91340129

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?
The IUPAC name of N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide (CID 90838861) is N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide is Cc1ccc(NC(=O)CCN2CCNCC2)cc1N(c1cccnc1)c1ncco1.
What is the InChIKey of N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?
The InChIKey is VXMKFFZSGJGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-17-4-5-18(26-21(29)6-11-27-12-8-23-9-13-27)15-20(17)28(22-25-10-14-30-22)19-3-2-7-24-16-19/h2-5,7,10,14-16,23H,6,8-9,11-13H2,1H3,(H,26,29).
What are the key properties of N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide?
N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide has a molecular weight of 406.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1,3-oxazol-2-yl(pyridin-3-yl)amino]phenyl]-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 90838861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).