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

C19H26N4O2 — CID 71984489

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCN2CCN(c3ccccc3)CC2)oc1C
InChIInChI=1S/C19H26N4O2/c1-15-16(2)25-19(21-15)14-20-18(24)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,20,24)
InChIKeyWUNVYGQWLBISMV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.12
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 71984489) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID71984489
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1nc(CNC(=O)CCN2CCN(c3ccccc3)CC2)oc1C
InChIInChI=1S/C19H26N4O2/c1-15-16(2)25-19(21-15)14-20-18(24)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,20,24)
InChIKeyWUNVYGQWLBISMV-UHFFFAOYSA-N
XLogP2.12
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71998190
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 109430833
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109430832
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
CID 8968237

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide (CID 71984489) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is Cc1nc(CNC(=O)CCN2CCN(c3ccccc3)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is WUNVYGQWLBISMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-16(2)25-19(21-15)14-20-18(24)8-9-22-10-12-23(13-11-22)17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,20,24).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 71984489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).