N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide

C15H10Cl2N2O2 — CID 110388057

IUPACN-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-13-6-9(2-5-14(13)21-8)15(20)19-12-4-3-10(16)7-11(12)17/h2-7H,1H3,(H,19,20)
InChIKeySTBSMCBAXKLSNC-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.70
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide

N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110388057) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID110388057
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-13-6-9(2-5-14(13)21-8)15(20)19-12-4-3-10(16)7-11(12)17/h2-7H,1H3,(H,19,20)
InChIKeySTBSMCBAXKLSNC-UHFFFAOYSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
N-(2,4-dimethoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388020
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide (CID 110388057) is N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is STBSMCBAXKLSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-18-13-6-9(2-5-14(13)21-8)15(20)19-12-4-3-10(16)7-11(12)17/h2-7H,1H3,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide?
N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 321.16 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).