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

C18H18N2O4 — CID 110711801

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-8-7-12(11-16(15)23-2)18(21)19-10-9-17-20-13-5-3-4-6-14(13)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyVKBXYPUFJLQSPF-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 110711801) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID110711801
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-8-7-12(11-16(15)23-2)18(21)19-10-9-17-20-13-5-3-4-6-14(13)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyVKBXYPUFJLQSPF-UHFFFAOYSA-N
XLogP2.82
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 135091140
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
2-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 46354275
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66790975

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 110711801) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2nc3ccccc3o2)cc1OC.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is VKBXYPUFJLQSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-15-8-7-12(11-16(15)23-2)18(21)19-10-9-17-20-13-5-3-4-6-14(13)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 326.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110711801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).