5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

C26H18Br2N2O2 — CID 17162887

IUPAC5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1
InChIInChI=1S/C26H18Br2N2O2/c1-2-15-13-22(28)24-23(14-15)30-26(32-24)16-9-11-17(12-10-16)29-25(31)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,2H2,1H3,(H,29,31)
InChIKeyHLDXQKXUMSMWBD-UHFFFAOYSA-N
MW550.25 g/mol
LogP7.99
Rot. Bonds4

About 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 17162887) has the molecular formula C26H18Br2N2O2 and a molecular weight of 550.25 g/mol. Its IUPAC name is 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID17162887
Molecular FormulaC26H18Br2N2O2
Molecular Weight550.25 g/mol
Exact Mass547.97
IUPAC Name5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1
InChIInChI=1S/C26H18Br2N2O2/c1-2-15-13-22(28)24-23(14-15)30-26(32-24)16-9-11-17(12-10-16)29-25(31)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,2H2,1H3,(H,29,31)
InChIKeyHLDXQKXUMSMWBD-UHFFFAOYSA-N
XLogP7.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.25
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17162877
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
CID 17162820
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-butoxybenzamide
CID 17162837
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 17162933
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 17162958
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 17163354
4-bromo-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17116883
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
7-bromo-2-(4-bromo-3-chlorophenyl)-5-ethyl-1,3-benzoxazole
CID 94675137
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 17162887) is 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3)nc2c1.
What is the InChIKey of 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is HLDXQKXUMSMWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Br2N2O2/c1-2-15-13-22(28)24-23(14-15)30-26(32-24)16-9-11-17(12-10-16)29-25(31)20-7-3-6-19-18(20)5-4-8-21(19)27/h3-14H,2H2,1H3,(H,29,31).
What are the key properties of 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?
5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 550.25 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 17162887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).