2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide

C21H25N5O2 — CID 46527637

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)Nc3cccc4ncccc34)CC2)on1
InChIInChI=1S/C21H25N5O2/c1-15-13-17(28-24-15)14-25-9-11-26(12-10-25)16(2)21(27)23-20-7-3-6-19-18(20)5-4-8-22-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyYGAOCDHFMWUARO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide (PubChem CID 46527637) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
PubChem CID46527637
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)Nc3cccc4ncccc34)CC2)on1
InChIInChI=1S/C21H25N5O2/c1-15-13-17(28-24-15)14-25-9-11-26(12-10-25)16(2)21(27)23-20-7-3-6-19-18(20)5-4-8-22-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyYGAOCDHFMWUARO-UHFFFAOYSA-N
XLogP2.68
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide with MolForge

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Related Compounds

N-cyclopentyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 127883228
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
CID 42949605
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
N-(4-methylcyclohexyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 86919305
N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylpropanamide
CID 55565291
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 86916000
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide (CID 46527637) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide is Cc1cc(CN2CCN(C(C)C(=O)Nc3cccc4ncccc34)CC2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide?
The InChIKey is YGAOCDHFMWUARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-13-17(28-24-15)14-25-9-11-26(12-10-25)16(2)21(27)23-20-7-3-6-19-18(20)5-4-8-22-19/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide?
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 46527637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).