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

C23H19BrN2O3 — CID 17162820

IUPACN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1
InChIInChI=1S/C23H19BrN2O3/c1-3-14-12-19(24)21-20(13-14)26-23(29-21)16-4-8-17(9-5-16)25-22(27)15-6-10-18(28-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,27)
InChIKeyPTJSCELOMJTXSC-UHFFFAOYSA-N
MW451.32 g/mol
LogP6.08
Rot. Bonds5

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

N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 17162820) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
PubChem CID17162820
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC NameN-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1
InChIInChI=1S/C23H19BrN2O3/c1-3-14-12-19(24)21-20(13-14)26-23(29-21)16-4-8-17(9-5-16)25-22(27)15-6-10-18(28-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,27)
InChIKeyPTJSCELOMJTXSC-UHFFFAOYSA-N
XLogP6.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]thiophene-2-carboxamide
CID 17162877
5-bromo-N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 17162887
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 17162958
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 1002508
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide (CID 17162820) is N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide is CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1.
What is the InChIKey of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is PTJSCELOMJTXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-3-14-12-19(24)21-20(13-14)26-23(29-21)16-4-8-17(9-5-16)25-22(27)15-6-10-18(28-2)11-7-15/h4-13H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide?
N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 451.32 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-bromo-5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 17162820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).