N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide

C21H14Cl2N2O3 — CID 1361662

IUPACN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1
InChIInChI=1S/C21H14Cl2N2O3/c1-27-14-5-2-4-12(10-14)20(26)24-13-8-9-18-17(11-13)25-21(28-18)15-6-3-7-16(22)19(15)23/h2-11H,1H3,(H,24,26)
InChIKeyCNTJCZOLBPFAOJ-UHFFFAOYSA-N
MW413.26 g/mol
LogP6.06
Rot. Bonds4

About N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide

N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide (PubChem CID 1361662) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
PubChem CID1361662
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC NameN-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1
InChIInChI=1S/C21H14Cl2N2O3/c1-27-14-5-2-4-12(10-14)20(26)24-13-8-9-18-17(11-13)25-21(28-18)15-6-3-7-16(22)19(15)23/h2-11H,1H3,(H,24,26)
InChIKeyCNTJCZOLBPFAOJ-UHFFFAOYSA-N
XLogP6.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 1215762
3-[(2R)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
CID 39365655
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
5-(2,3-dichlorophenyl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23966661
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(methylamino)acetamide
CID 25211219
N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxybenzamide
CID 1339169
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
3-butoxy-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3117238

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide (CID 1361662) is N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
The InChIKey is CNTJCZOLBPFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c1-27-14-5-2-4-12(10-14)20(26)24-13-8-9-18-17(11-13)25-21(28-18)15-6-3-7-16(22)19(15)23/h2-11H,1H3,(H,24,26).
What are the key properties of N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide?
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide has a molecular weight of 413.26 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 1361662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).