N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide

C18H17ClN2O3 — CID 142752219

IUPACN-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide
SMILESCCc1ccc(N(C(=O)COC)c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-3-12-4-7-14(8-5-12)21(17(22)11-23-2)18-20-15-10-13(19)6-9-16(15)24-18/h4-10H,3,11H2,1-2H3
InChIKeyDXRFFCIUBDVBRA-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.35
Rot. Bonds5

About N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide

N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide (PubChem CID 142752219) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide
PubChem CID142752219
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide
SMILESCCc1ccc(N(C(=O)COC)c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-3-12-4-7-14(8-5-12)21(17(22)11-23-2)18-20-15-10-13(19)6-9-16(15)24-18/h4-10H,3,11H2,1-2H3
InChIKeyDXRFFCIUBDVBRA-UHFFFAOYSA-N
XLogP4.35
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide (CID 142752219) is N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide is CCc1ccc(N(C(=O)COC)c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide?
The InChIKey is DXRFFCIUBDVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-3-12-4-7-14(8-5-12)21(17(22)11-23-2)18-20-15-10-13(19)6-9-16(15)24-18/h4-10H,3,11H2,1-2H3.
What are the key properties of N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide?
N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide has a molecular weight of 344.80 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-ethylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 142752219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).