2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide

C19H19ClN2O3 — CID 42594407

IUPAC2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C19H19ClN2O3/c1-22(8-9-24-2)19(23)14-6-7-16-17(12-14)25-18(21-16)11-13-4-3-5-15(20)10-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyYTGICYMTGNHLFE-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.79
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide

2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 42594407) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID42594407
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C19H19ClN2O3/c1-22(8-9-24-2)19(23)14-6-7-16-17(12-14)25-18(21-16)11-13-4-3-5-15(20)10-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyYTGICYMTGNHLFE-UHFFFAOYSA-N
XLogP3.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
2-benzyl-N-[(3-chlorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089283
2-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 46354275
2-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089659
2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 45173436
2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 26335371
2-benzyl-N-[3-[benzyl(methyl)amino]propyl]-1,3-benzoxazole-6-carboxamide
CID 53089354
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
N-[(3-chlorophenyl)methyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 39966358
3-(chloromethyl)-N-(3-methoxypropyl)-N-methylbenzamide
CID 55141461
2-[(3,4-dimethoxyphenyl)methyl]-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,3-benzoxazole-6-carboxamide
CID 31225037
2-benzyl-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 53089368

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide (CID 42594407) is 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide is COCCN(C)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is YTGICYMTGNHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-22(8-9-24-2)19(23)14-6-7-16-17(12-14)25-18(21-16)11-13-4-3-5-15(20)10-13/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide?
2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42594407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).