N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide

C22H18N2O4 — CID 1114221

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC
InChIInChI=1S/C22H18N2O4/c1-26-19-12-9-15(13-20(19)27-2)21(25)23-16-10-7-14(8-11-16)22-24-17-5-3-4-6-18(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyYJYRCMXYRSOYTQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.76
Rot. Bonds5

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 1114221) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID1114221
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC
InChIInChI=1S/C22H18N2O4/c1-26-19-12-9-15(13-20(19)27-2)21(25)23-16-10-7-14(8-11-16)22-24-17-5-3-4-6-18(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyYJYRCMXYRSOYTQ-UHFFFAOYSA-N
XLogP4.76
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-[3-[1-[4-(1,3-benzoxazol-2-yl)anilino]-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902870
N-[3-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902942
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 92847447
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]-3-chloro-4-methoxybenzamide
CID 4510569
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 1114221) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1OC.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is YJYRCMXYRSOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-19-12-9-15(13-20(19)27-2)21(25)23-16-10-7-14(8-11-16)22-24-17-5-3-4-6-18(17)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).