N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide

C30H22N4O4 — CID 10815304

IUPACN-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1-c1cc(-c2nc3ccccc3o2)ccc1NC(C)=O
InChIInChI=1S/C30H22N4O4/c1-17(35)31-23-13-11-19(29-33-25-7-3-5-9-27(25)37-29)15-21(23)22-16-20(12-14-24(22)32-18(2)36)30-34-26-8-4-6-10-28(26)38-30/h3-16H,1-2H3,(H,31,35)(H,32,36)
InChIKeyKYUQLWCVDRNEGV-UHFFFAOYSA-N
MW502.53 g/mol
LogP6.89
Rot. Bonds5

About N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide

N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 10815304) has the molecular formula C30H22N4O4 and a molecular weight of 502.53 g/mol. Its IUPAC name is N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID10815304
Molecular FormulaC30H22N4O4
Molecular Weight502.53 g/mol
Exact Mass502.16
IUPAC NameN-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1-c1cc(-c2nc3ccccc3o2)ccc1NC(C)=O
InChIInChI=1S/C30H22N4O4/c1-17(35)31-23-13-11-19(29-33-25-7-3-5-9-27(25)37-29)15-21(23)22-16-20(12-14-24(22)32-18(2)36)30-34-26-8-4-6-10-28(26)38-30/h3-16H,1-2H3,(H,31,35)(H,32,36)
InChIKeyKYUQLWCVDRNEGV-UHFFFAOYSA-N
XLogP6.89
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
N-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-bromobenzamide
CID 1048662
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-chloropropanamide
CID 3129789
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
CID 70478884
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30307943
4-(1,3-benzoxazol-2-yl)-2-chlorobenzoyl chloride
CID 20556598

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide (CID 10815304) is N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1-c1cc(-c2nc3ccccc3o2)ccc1NC(C)=O.
What is the InChIKey of N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is KYUQLWCVDRNEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O4/c1-17(35)31-23-13-11-19(29-33-25-7-3-5-9-27(25)37-29)15-21(23)22-16-20(12-14-24(22)32-18(2)36)30-34-26-8-4-6-10-28(26)38-30/h3-16H,1-2H3,(H,31,35)(H,32,36).
What are the key properties of N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide?
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 502.53 g/mol, XLogP of 6.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 10815304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).