N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine

C28H33N5O — CID 142679762

IUPACN-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2cccc3ccccc23)no1
InChIInChI=1S/C28H33N5O/c1-2-31(15-8-16-32-17-19-33(20-18-32)28-13-5-6-14-29-28)22-24-21-27(30-34-24)26-12-7-10-23-9-3-4-11-25(23)26/h3-7,9-14,21H,2,8,15-20,22H2,1H3
InChIKeySIKBXRSTYDGNQA-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.92
Rot. Bonds9

About N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine

N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 142679762) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID142679762
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC NameN-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
SMILESCCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2cccc3ccccc23)no1
InChIInChI=1S/C28H33N5O/c1-2-31(15-8-16-32-17-19-33(20-18-32)28-13-5-6-14-29-28)22-24-21-27(30-34-24)26-12-7-10-23-9-3-4-11-25(23)26/h3-7,9-14,21H,2,8,15-20,22H2,1H3
InChIKeySIKBXRSTYDGNQA-UHFFFAOYSA-N
XLogP4.92
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 142679517
N-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]propan-1-amine
CID 142679739
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 142679452
N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-N-ethyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 142679665
N-ethyl-3-[4-(4-methylphenyl)piperazin-1-yl]-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679599
1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
CID 153403451
N-[[3-(2,3-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 142679823
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679569
3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2H-1,3-benzoxazin-4-one
CID 19027040
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine (CID 142679762) is N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine is CCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2cccc3ccccc23)no1.
What is the InChIKey of N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is SIKBXRSTYDGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-2-31(15-8-16-32-17-19-33(20-18-32)28-13-5-6-14-29-28)22-24-21-27(30-34-24)26-12-7-10-23-9-3-4-11-25(23)26/h3-7,9-14,21H,2,8,15-20,22H2,1H3.
What are the key properties of N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine?
N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 455.61 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-naphthalen-1-yl-1,2-oxazol-5-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 142679762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).