N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide

C28H20F2N2O4 — CID 168787277

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C28H20F2N2O4/c1-34-24-12-11-18(28-32-22-9-5-6-10-25(22)36-28)15-23(24)31-27(33)19-13-20(29)26(21(30)14-19)35-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,31,33)
InChIKeyUBVMQJVPFOOLPC-UHFFFAOYSA-N
MW486.47 g/mol
LogP6.61
Rot. Bonds7

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

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide (PubChem CID 168787277) has the molecular formula C28H20F2N2O4 and a molecular weight of 486.47 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
PubChem CID168787277
Molecular FormulaC28H20F2N2O4
Molecular Weight486.47 g/mol
Exact Mass486.14
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C28H20F2N2O4/c1-34-24-12-11-18(28-32-22-9-5-6-10-25(22)36-28)15-23(24)31-27(33)19-13-20(29)26(21(30)14-19)35-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,31,33)
InChIKeyUBVMQJVPFOOLPC-UHFFFAOYSA-N
XLogP6.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.47
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
CID 4510569
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 1496876
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
3,4-dimethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
CID 39349570
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide (CID 168787277) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide?
The InChIKey is UBVMQJVPFOOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N2O4/c1-34-24-12-11-18(28-32-22-9-5-6-10-25(22)36-28)15-23(24)31-27(33)19-13-20(29)26(21(30)14-19)35-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,31,33).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide has a molecular weight of 486.47 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3,5-difluoro-4-phenylmethoxybenzamide is sourced from PubChem (CID 168787277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).