1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol

C20H23N3O2 — CID 30139419

IUPAC1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCc1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)on1
InChIInChI=1S/C20H23N3O2/c1-15-12-17(25-21-15)13-22-8-10-23(11-9-22)14-19-18-5-3-2-4-16(18)6-7-20(19)24/h2-7,12,24H,8-11,13-14H2,1H3
InChIKeyQXIHPEOMMDLWSL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.16
Rot. Bonds4

About 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol

1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol (PubChem CID 30139419) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
PubChem CID30139419
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
SMILESCc1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)on1
InChIInChI=1S/C20H23N3O2/c1-15-12-17(25-21-15)13-22-8-10-23(11-9-22)14-19-18-5-3-2-4-16(18)6-7-20(19)24/h2-7,12,24H,8-11,13-14H2,1H3
InChIKeyQXIHPEOMMDLWSL-UHFFFAOYSA-N
XLogP3.16
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
(5-bromo-2-hydroxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269631
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 35788524
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2845612
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol (CID 30139419) is 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol is Cc1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)on1.
What is the InChIKey of 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is QXIHPEOMMDLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-12-17(25-21-15)13-22-8-10-23(11-9-22)14-19-18-5-3-2-4-16(18)6-7-20(19)24/h2-7,12,24H,8-11,13-14H2,1H3.
What are the key properties of 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol?
1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 337.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 30139419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).