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

C19H23N5O2 — CID 35798753

IUPAC3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(Cc3ccc(C#N)cc3)CC2)no1
InChIInChI=1S/C19H23N5O2/c1-15-12-18(22-26-15)21-19(25)6-7-23-8-10-24(11-9-23)14-17-4-2-16(13-20)3-5-17/h2-5,12H,6-11,14H2,1H3,(H,21,22,25)
InChIKeyFICLZTAMXSRYON-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.00
Rot. Bonds6

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

3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 35798753) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID35798753
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCN(Cc3ccc(C#N)cc3)CC2)no1
InChIInChI=1S/C19H23N5O2/c1-15-12-18(22-26-15)21-19(25)6-7-23-8-10-24(11-9-23)14-17-4-2-16(13-20)3-5-17/h2-5,12H,6-11,14H2,1H3,(H,21,22,25)
InChIKeyFICLZTAMXSRYON-UHFFFAOYSA-N
XLogP2.00
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
N-[(4-cyanophenyl)methyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 134043287
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35321083

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 35798753) is 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCN(Cc3ccc(C#N)cc3)CC2)no1.
What is the InChIKey of 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FICLZTAMXSRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15-12-18(22-26-15)21-19(25)6-7-23-8-10-24(11-9-23)14-17-4-2-16(13-20)3-5-17/h2-5,12H,6-11,14H2,1H3,(H,21,22,25).
What are the key properties of 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 35798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).