2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide

C19H26N4O2 — CID 110621001

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)no1
InChIInChI=1S/C19H26N4O2/c1-14(2)22-8-10-23(11-9-22)18-6-4-16(5-7-18)20-19(24)13-17-12-15(3)25-21-17/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24)
InChIKeyOQXKAGPZNBUUEV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.69
Rot. Bonds5

About 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide

2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110621001) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
PubChem CID110621001
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)no1
InChIInChI=1S/C19H26N4O2/c1-14(2)22-8-10-23(11-9-22)18-6-4-16(5-7-18)20-19(24)13-17-12-15(3)25-21-17/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24)
InChIKeyOQXKAGPZNBUUEV-UHFFFAOYSA-N
XLogP2.69
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(4-bromophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110421673
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]acetamide
CID 124505289
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701
3-methyl-5-propan-2-yl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110621004
3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 36968871
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 110425586
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide (CID 110621001) is 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide is Cc1cc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OQXKAGPZNBUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)22-8-10-23(11-9-22)18-6-4-16(5-7-18)20-19(24)13-17-12-15(3)25-21-17/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,24).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110621001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).