(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal

C15H11N3O2 — CID 2249389

IUPAC(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal
SMILESO=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1
InChIInChI=1S/C15H11N3O2/c19-10-11(9-17-14-7-3-4-8-16-14)15-18-12-5-1-2-6-13(12)20-15/h1-10H,(H,16,17)/b11-9+
InChIKeyGFXCWBFSVKWYQV-PKNBQFBNSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds4

About (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal

(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal (PubChem CID 2249389) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal
PubChem CID2249389
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal
SMILESO=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1
InChIInChI=1S/C15H11N3O2/c19-10-11(9-17-14-7-3-4-8-16-14)15-18-12-5-1-2-6-13(12)20-15/h1-10H,(H,16,17)/b11-9+
InChIKeyGFXCWBFSVKWYQV-PKNBQFBNSA-N
XLogP2.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(6-Methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine
CID 24780524
N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine
CID 24780800
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]oxazole
CID 59671497
N-[(E)-1-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
CID 122463228
2-(1,3-benzoxazol-2-ylmethyl)-6-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 136041748
Benzoxazole, 2-(2-pyridinyl)-
CID 135005
N-[4-[[3-(Tetrahydro-2H-pyran-4-yl)-2-pyridinyl]oxy]phenyl]-2-benzoxazolamine
CID 46214542
2-(5-Chloro-1,3-benzoxazol-2-yl)-3-(2-pyridinylamino)acrylaldehyde
CID 836595
Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-methylpyrimidine-5-carboxylate
CID 934269
N-(3-{[2-(1,3-benzoxazol-2-yl)-3-oxo-1-propenyl]amino}phenyl)acetamide
CID 1221509
2-Benzooxazol-2-yl-3-(5-chloro-pyridin-2-ylamino)-propenal
CID 2248209
3-(1,3-benzoxazol-2-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 44324669

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal?
The IUPAC name of (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal (CID 2249389) is (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal?
The canonical SMILES for (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal is O=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1.
What is the InChIKey of (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal?
The InChIKey is GFXCWBFSVKWYQV-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-10-11(9-17-14-7-3-4-8-16-14)15-18-12-5-1-2-6-13(12)20-15/h1-10H,(H,16,17)/b11-9+.
What are the key properties of (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal?
(Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal has a molecular weight of 265.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1,3-benzoxazol-2-yl)-3-(pyridin-2-ylamino)prop-2-enal is sourced from PubChem (CID 2249389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).