2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole

C23H20N2O2 — CID 97433353

IUPAC2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESCc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C23H20N2O2/c1-16-13-18(10-11-22-25-20-8-3-4-9-21(20)27-22)14-17(2)23(16)26-15-19-7-5-6-12-24-19/h3-14H,15H2,1-2H3/b11-10-
InChIKeyDTULAJCGNVWXQK-KHPPLWFESA-N
MW356.43 g/mol
LogP5.59
Rot. Bonds5

About 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole

2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 97433353) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole
PubChem CID97433353
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESCc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C23H20N2O2/c1-16-13-18(10-11-22-25-20-8-3-4-9-21(20)27-22)14-17(2)23(16)26-15-19-7-5-6-12-24-19/h3-14H,15H2,1-2H3/b11-10-
InChIKeyDTULAJCGNVWXQK-KHPPLWFESA-N
XLogP5.59
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 136810517
2-[(E)-2-(3-methylphenyl)ethenyl]-1,3-benzoxazole
CID 6213131
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083407
3-[4-[(E)-2-(1,3-benzoxazol-2-yl)ethenyl]-2,6-dimethoxyphenoxy]-N,N-dipropylpropan-1-amine
CID 10181641
2-[(Z)-1-chloro-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135938950
2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]sulfanylacetic acid
CID 55665664
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
4-[2-(1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3147188
2-[(E)-2-(4-bromophenyl)ethenyl]-1,3-benzoxazole
CID 6215281
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 18083405
(3Z)-3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,1-dioxothiochromen-4-one
CID 43071417

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole (CID 97433353) is 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole is Cc1cc(/C=C\c2nc3ccccc3o2)cc(C)c1OCc1ccccn1.
What is the InChIKey of 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole?
The InChIKey is DTULAJCGNVWXQK-KHPPLWFESA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-13-18(10-11-22-25-20-8-3-4-9-21(20)27-22)14-17(2)23(16)26-15-19-7-5-6-12-24-19/h3-14H,15H2,1-2H3/b11-10-.
What are the key properties of 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole?
2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 356.43 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 97433353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).