N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide

C29H24N2O4 — CID 135625673

IUPACN-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide
SMILESCCc1ccc2oc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3O)nc2c1
InChIInChI=1S/C29H24N2O4/c1-2-19-11-14-27-25(15-19)31-29(35-27)24-17-22(12-13-26(24)32)30-28(33)21-9-6-10-23(16-21)34-18-20-7-4-3-5-8-20/h3-17,32H,2,18H2,1H3,(H,30,33)
InChIKeyGIMDGBDYKQZEET-UHFFFAOYSA-N
MW464.52 g/mol
LogP6.59
Rot. Bonds7

About N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide (PubChem CID 135625673) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide
PubChem CID135625673
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide
SMILESCCc1ccc2oc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3O)nc2c1
InChIInChI=1S/C29H24N2O4/c1-2-19-11-14-27-25(15-19)31-29(35-27)24-17-22(12-13-26(24)32)30-28(33)21-9-6-10-23(16-21)34-18-20-7-4-3-5-8-20/h3-17,32H,2,18H2,1H3,(H,30,33)
InChIKeyGIMDGBDYKQZEET-UHFFFAOYSA-N
XLogP6.59
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 137118515
3-ethoxy-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide
CID 135718104
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314516
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 135700297
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 6737667
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 137066900
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17314513
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(phenoxymethyl)benzamide
CID 21213245
N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113648
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2275762
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 21211496

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide (CID 135625673) is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide is CCc1ccc2oc(-c3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3O)nc2c1.
What is the InChIKey of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide?
The InChIKey is GIMDGBDYKQZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-2-19-11-14-27-25(15-19)31-29(35-27)24-17-22(12-13-26(24)32)30-28(33)21-9-6-10-23(16-21)34-18-20-7-4-3-5-8-20/h3-17,32H,2,18H2,1H3,(H,30,33).
What are the key properties of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide?
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide has a molecular weight of 464.52 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 135625673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).