N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine

C18H21N5O2 — CID 122463228

IUPACN-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1
InChIInChI=1S/C18H21N5O2/c1-13(16-12-14(8-9-19-16)24-11-10-23(2)3)21-22-18-20-15-6-4-5-7-17(15)25-18/h4-9,12H,10-11H2,1-3H3,(H,20,22)/b21-13+
InChIKeyJMNKTXKHLZKHAQ-FYJGNVAPSA-N
MW339.40 g/mol
LogP3.00
Rot. Bonds7

About N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine

N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 122463228) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
PubChem CID122463228
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1
InChIInChI=1S/C18H21N5O2/c1-13(16-12-14(8-9-19-16)24-11-10-23(2)3)21-22-18-20-15-6-4-5-7-17(15)25-18/h4-9,12H,10-11H2,1-3H3,(H,20,22)/b21-13+
InChIKeyJMNKTXKHLZKHAQ-FYJGNVAPSA-N
XLogP3.00
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-methoxypropyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]-1,3-benzoxazol-2-amine
CID 2003439
4-(Dimethylamino)benzaldehyde 1,3-benzoxazol-2-ylhydrazone
CID 9633983
N-(4-methylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
CID 945758
N-[(E)-(2-ethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 9561021
N-(dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine
CID 404079
N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzoxazol-2-amine
CID 9609961
4-(2-(4-(dimethylamino)phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040397
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]oxazole
CID 59671497
5-Methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 90254968
CID 392789
CID 392789
N-(1-pyrimidin-2-ylethylideneamino)-1,3-benzoxazol-2-amine
CID 392790
(2Z)-2-benzoxazol-2-yl-3-(2-pyridylamino)prop-2-enal
CID 2249389

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine (CID 122463228) is N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine is C/C(=N\Nc1nc2ccccc2o1)c1cc(OCCN(C)C)ccn1.
What is the InChIKey of N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is JMNKTXKHLZKHAQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(16-12-14(8-9-19-16)24-11-10-23(2)3)21-22-18-20-15-6-4-5-7-17(15)25-18/h4-9,12H,10-11H2,1-3H3,(H,20,22)/b21-13+.
What are the key properties of N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine?
N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 339.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 122463228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).