N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide

C22H17ClN2O4 — CID 4510569

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-27-18-9-7-13(11-15(18)23)21(26)24-17-12-14(8-10-19(17)28-2)22-25-16-5-3-4-6-20(16)29-22/h3-12H,1-2H3,(H,24,26)
InChIKeyZFRQUSDSZWWSAW-UHFFFAOYSA-N
MW408.84 g/mol
LogP5.42
Rot. Bonds5

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide (PubChem CID 4510569) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
PubChem CID4510569
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-27-18-9-7-13(11-15(18)23)21(26)24-17-12-14(8-10-19(17)28-2)22-25-16-5-3-4-6-20(16)29-22/h3-12H,1-2H3,(H,24,26)
InChIKeyZFRQUSDSZWWSAW-UHFFFAOYSA-N
XLogP5.42
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
3-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 3415669
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-[(1R)-1-phenylethoxy]benzamide
CID 168787253
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1495772
3-chloro-4-ethoxy-N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 17162544
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
(2R)-N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2204089
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-methoxybenzamide
CID 2481063
N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3815714

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide (CID 4510569) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1Cl.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide?
The InChIKey is ZFRQUSDSZWWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-27-18-9-7-13(11-15(18)23)21(26)24-17-12-14(8-10-19(17)28-2)22-25-16-5-3-4-6-20(16)29-22/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide has a molecular weight of 408.84 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 4510569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).