N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide

C24H22N2O3 — CID 17163458

IUPACN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-15-11-21-22(12-16(15)2)29-24(26-21)18-9-7-17(8-10-18)14-25-23(27)19-5-4-6-20(13-19)28-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyOYOSKUUZMHTVLV-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.05
Rot. Bonds5

About N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 17163458) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
PubChem CID17163458
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-15-11-21-22(12-16(15)2)29-24(26-21)18-9-7-17(8-10-18)14-25-23(27)19-5-4-6-20(13-19)28-3/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyOYOSKUUZMHTVLV-UHFFFAOYSA-N
XLogP5.05
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
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]-4-(2-methylpropoxy)benzamide
CID 17163567
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]-2-fluorobenzamide
CID 17163439
2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 143659675
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
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-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide (CID 17163458) is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1.
What is the InChIKey of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is OYOSKUUZMHTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-11-21-22(12-16(15)2)29-24(26-21)18-9-7-17(8-10-18)14-25-23(27)19-5-4-6-20(13-19)28-3/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide?
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 17163458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).