6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one

C18H15N3O2 — CID 58911203

IUPAC6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2o1
InChIInChI=1S/C18H15N3O2/c22-18-21-15-6-5-12(10-16(15)23-18)9-13-3-2-8-20-17(13)14-4-1-7-19-11-14/h1,4-7,9-11H,2-3,8H2,(H,21,22)/b13-9+
InChIKeyIKNSLDLSORKRBZ-UKTHLTGXSA-N
MW305.34 g/mol
LogP3.18
Rot. Bonds2

About 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one

6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 58911203) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID58911203
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2o1
InChIInChI=1S/C18H15N3O2/c22-18-21-15-6-5-12(10-16(15)23-18)9-13-3-2-8-20-17(13)14-4-1-7-19-11-14/h1,4-7,9-11H,2-3,8H2,(H,21,22)/b13-9+
InChIKeyIKNSLDLSORKRBZ-UKTHLTGXSA-N
XLogP3.18
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one (CID 58911203) is 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2o1.
What is the InChIKey of 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is IKNSLDLSORKRBZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18-21-15-6-5-12(10-16(15)23-18)9-13-3-2-8-20-17(13)14-4-1-7-19-11-14/h1,4-7,9-11H,2-3,8H2,(H,21,22)/b13-9+.
What are the key properties of 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one?
6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 58911203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).