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

C22H18N2O3 — CID 17100815

IUPACN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyYSHZGKULBRHJDY-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.43
Rot. Bonds5

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

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 17100815) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
PubChem CID17100815
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyYSHZGKULBRHJDY-UHFFFAOYSA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-oxochromen-3-yl)benzamide
CID 17110634
(E)-N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17104406
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-chlorobenzamide
CID 22777679
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide
CID 22780746
N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23100939
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide (CID 17100815) is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is YSHZGKULBRHJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 17100815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).