2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde

C20H19N3O4 — CID 135980495

IUPAC2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2coc(-c3ccc4c(C=O)c(O)ccc4c3)n2)CC1
InChIInChI=1S/C20H19N3O4/c1-22-6-8-23(9-7-22)20(26)17-12-27-19(21-17)14-2-4-15-13(10-14)3-5-18(25)16(15)11-24/h2-5,10-12,25H,6-9H2,1H3
InChIKeyXRDPVKDJFJPDJY-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.40
Rot. Bonds3

About 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde

2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde (PubChem CID 135980495) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde
PubChem CID135980495
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde
SMILESCN1CCN(C(=O)c2coc(-c3ccc4c(C=O)c(O)ccc4c3)n2)CC1
InChIInChI=1S/C20H19N3O4/c1-22-6-8-23(9-7-22)20(26)17-12-27-19(21-17)14-2-4-15-13(10-14)3-5-18(25)16(15)11-24/h2-5,10-12,25H,6-9H2,1H3
InChIKeyXRDPVKDJFJPDJY-UHFFFAOYSA-N
XLogP2.40
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde (CID 135980495) is 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde is CN1CCN(C(=O)c2coc(-c3ccc4c(C=O)c(O)ccc4c3)n2)CC1.
What is the InChIKey of 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde?
The InChIKey is XRDPVKDJFJPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-22-6-8-23(9-7-22)20(26)17-12-27-19(21-17)14-2-4-15-13(10-14)3-5-18(25)16(15)11-24/h2-5,10-12,25H,6-9H2,1H3.
What are the key properties of 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde has a molecular weight of 365.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[4-(4-methylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 135980495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).