3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole

C18H14N2O2 — CID 175393218

IUPAC3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole
SMILESNc1cc2ccccc2cc1C=O.c1ccc2oncc2c1
InChIInChI=1S/C11H9NO.C7H5NO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,12H2;1-5H
InChIKeyDKUUMVAVLWNWDY-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.06
Rot. Bonds1

About 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole

3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole (PubChem CID 175393218) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole.

Molecular Properties

Compound Name3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole
PubChem CID175393218
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole
SMILESNc1cc2ccccc2cc1C=O.c1ccc2oncc2c1
InChIInChI=1S/C11H9NO.C7H5NO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,12H2;1-5H
InChIKeyDKUUMVAVLWNWDY-UHFFFAOYSA-N
XLogP4.06
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1,2-benzoxazole-5-carbaldehyde
CID 117109921
azanium;1,2-benzoxazole;methanesulfonate
CID 22336184
3-amino-6,7-dichloronaphthalene-2-carbaldehyde
CID 57122815
tetracene-2,3-diamine
CID 101108854
1,2-benzoxazole;1,3-thiazole
CID 90009416
1,2-benzothiazole;1,2-benzoxazole;ethane;methane
CID 159246533
N-(1,2-benzoxazol-5-yl)formamide
CID 87322265
3-nitronaphthalene-2-carbaldehyde
CID 12069028
1,3-benzothiazole-2-carboxylic acid;1,2-benzoxazole
CID 174533353
3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide
CID 70213077
3-methyltetracen-2-amine
CID 154953105
tetracene-1,2,3-tricarbaldehyde
CID 87124407

Frequently Asked Questions

What is the IUPAC name of 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole?
The IUPAC name of 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole (CID 175393218) is 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole.
What is the SMILES notation for 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole?
The canonical SMILES for 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole is Nc1cc2ccccc2cc1C=O.c1ccc2oncc2c1.
What is the InChIKey of 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole?
The InChIKey is DKUUMVAVLWNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C7H5NO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13;1-2-4-7-6(3-1)5-8-9-7/h1-7H,12H2;1-5H.
What are the key properties of 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole?
3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole has a molecular weight of 290.32 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminonaphthalene-2-carbaldehyde;1,2-benzoxazole is sourced from PubChem (CID 175393218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).