N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H25N5O2 — CID 71984488

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCN2CCN(c3ccccn3)CC2)oc1C
InChIInChI=1S/C18H25N5O2/c1-14-15(2)25-18(21-14)13-20-17(24)6-8-22-9-11-23(12-10-22)16-5-3-4-7-19-16/h3-5,7H,6,8-13H2,1-2H3,(H,20,24)
InChIKeyIXHAPHVZAJHZFP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.51
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 71984488) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID71984488
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCN2CCN(c3ccccn3)CC2)oc1C
InChIInChI=1S/C18H25N5O2/c1-14-15(2)25-18(21-14)13-20-17(24)6-8-22-9-11-23(12-10-22)16-5-3-4-7-19-16/h3-5,7H,6,8-13H2,1-2H3,(H,20,24)
InChIKeyIXHAPHVZAJHZFP-UHFFFAOYSA-N
XLogP1.51
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[6-(4-phenylpiperazin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390528
N-[6-[4-(cyclopentylcarbamoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235882
2-piperidin-1-yl-N-[6-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236190
(3R,5R)-N-[(6-amino-2-pyridinyl)methyl]-5-ethyl-1-[(5-methyl-2-morpholin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 54583600
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)acetamide
CID 71601848
Ethyl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperazine-1-carboxylate
CID 67293543
2-piperidin-1-yl-N-[6-(4-propanoylpiperazin-1-yl)pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68236199
5-[2-[4-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073653
N-[(4-phenyl-2-propyl-1,3-oxazol-5-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 49798205
3-Ethoxy-N-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 87052999
2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pyridine-3-carbonitrile
CID 49782365
2-Methyl-5-trifluoromethyloxazole-4-carboxylic Acid{6-[(2-Methoxyethyl)methylamino]pyridin-3-yl}amide
CID 52936629

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 71984488) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is Cc1nc(CNC(=O)CCN2CCN(c3ccccn3)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is IXHAPHVZAJHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-15(2)25-18(21-14)13-20-17(24)6-8-22-9-11-23(12-10-22)16-5-3-4-7-19-16/h3-5,7H,6,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 71984488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).