4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole

C19H12N2O2 — CID 86576187

IUPAC4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole
SMILESCc1nc2c(o1)c(-c1nc3ccccc3o1)cc1ccccc12
InChIInChI=1S/C19H12N2O2/c1-11-20-17-13-7-3-2-6-12(13)10-14(18(17)22-11)19-21-15-8-4-5-9-16(15)23-19/h2-10H,1H3
InChIKeyZJCXNYCJJPYZBR-UHFFFAOYSA-N
MW300.32 g/mol
LogP5.10
Rot. Bonds1

About 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole

4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole (PubChem CID 86576187) has the molecular formula C19H12N2O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole
PubChem CID86576187
Molecular FormulaC19H12N2O2
Molecular Weight300.32 g/mol
Exact Mass300.09
IUPAC Name4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole
SMILESCc1nc2c(o1)c(-c1nc3ccccc3o1)cc1ccccc12
InChIInChI=1S/C19H12N2O2/c1-11-20-17-13-7-3-2-6-12(13)10-14(18(17)22-11)19-21-15-8-4-5-9-16(15)23-19/h2-10H,1H3
InChIKeyZJCXNYCJJPYZBR-UHFFFAOYSA-N
XLogP5.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fluorescent brightener 367
CID 78769
Naphth[1,2-d]oxazole, 2-methyl-
CID 66555
2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol
CID 10062042
2-(6-Hydroxynaphthalen-2-yl)benzo[d]oxazol-6-ol
CID 135449109
6-[5-(Hydroxymethyl)-1,3-benzoxazol-2-yl]naphthalen-2-ol
CID 142739914
Homopseudopteroxazole
CID 3003592
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
2-Methylnaphth(2,1-d)oxazole
CID 88652
2-(4-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol
CID 135503567
N-[2-(2-Naphthalenyl)-5-benzoxazolyl]acetamide
CID 17101731
2-(1-Hydroxy-naphthalen-2-yl)benzoxazole-4-carboxylic acid methyl ester
CID 136224199

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole (CID 86576187) is 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole is Cc1nc2c(o1)c(-c1nc3ccccc3o1)cc1ccccc12.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole?
The InChIKey is ZJCXNYCJJPYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O2/c1-11-20-17-13-7-3-2-6-12(13)10-14(18(17)22-11)19-21-15-8-4-5-9-16(15)23-19/h2-10H,1H3.
What are the key properties of 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole?
4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole has a molecular weight of 300.32 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-2-methylbenzo[e][1,3]benzoxazole is sourced from PubChem (CID 86576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).