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

C22H18N2O3 — CID 17100829

IUPACN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C22H18N2O3/c1-26-18-6-4-5-17(13-18)21(25)23-14-15-9-11-16(12-10-15)22-24-19-7-2-3-8-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWPHISQJMVRXHHU-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.43
Rot. Bonds5

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

N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 17100829) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
PubChem CID17100829
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C22H18N2O3/c1-26-18-6-4-5-17(13-18)21(25)23-14-15-9-11-16(12-10-15)22-24-19-7-2-3-8-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyWPHISQJMVRXHHU-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]-4-methoxybenzamide
CID 17100815
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
CID 6462401
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-oxochromen-3-yl)benzamide
CID 17110634
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]naphthalene-2-carboxamide
CID 22780746
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 2994943
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide (CID 17100829) is N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is WPHISQJMVRXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-18-6-4-5-17(13-18)21(25)23-14-15-9-11-16(12-10-15)22-24-19-7-2-3-8-20(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]-3-methoxybenzamide?
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 17100829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).