N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

C20H21ClN2O5 — CID 46099599

IUPACN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1nc2cc(Cl)ccc2o1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-25-9-8-23(12-19-22-16-10-13(21)4-7-17(16)28-19)20(24)15-6-5-14(26-2)11-18(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyREHHYNWMJBROKU-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.79
Rot. Bonds8

About N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 46099599) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
PubChem CID46099599
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC NameN-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1nc2cc(Cl)ccc2o1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-25-9-8-23(12-19-22-16-10-13(21)4-7-17(16)28-19)20(24)15-6-5-14(26-2)11-18(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyREHHYNWMJBROKU-UHFFFAOYSA-N
XLogP3.79
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2,4-dimethoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
CID 46099634
methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[(2,4-dimethoxybenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197468
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]benzamide
CID 46099633
2,4-dichloro-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46099523
2-[[(2,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 5039853
N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-fluorobenzamide
CID 46099550
2,4-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3455351
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 3426870
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 5201245
(2S)-N-benzyl-N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2-phenoxypropanamide
CID 92771917

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (CID 46099599) is N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is COCCN(Cc1nc2cc(Cl)ccc2o1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is REHHYNWMJBROKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-25-9-8-23(12-19-22-16-10-13(21)4-7-17(16)28-19)20(24)15-6-5-14(26-2)11-18(15)27-3/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 404.85 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46099599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).