N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

C17H22N4O2 — CID 707006

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-13-16(19-23-14)18-17(22)7-8-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,18,19,22)
InChIKeyDSVNNXOPRHVUHT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.13
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 707006) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID707006
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C17H22N4O2/c1-14-13-16(19-23-14)18-17(22)7-8-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,18,19,22)
InChIKeyDSVNNXOPRHVUHT-UHFFFAOYSA-N
XLogP2.13
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 162643286
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 38065563
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanylpropanamide
CID 43066957
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 110422185
3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 707006) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is DSVNNXOPRHVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-13-16(19-23-14)18-17(22)7-8-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,18,19,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 707006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).