N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide

C19H21ClN4O3S — CID 142078011

IUPACN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCON=CC(C)(C)Cc1nc2cc(CC(=O)Nc3snc(C)c3Cl)ccc2o1
InChIInChI=1S/C19H21ClN4O3S/c1-11-17(20)18(28-24-11)23-15(25)8-12-5-6-14-13(7-12)22-16(27-14)9-19(2,3)10-21-26-4/h5-7,10H,8-9H2,1-4H3,(H,23,25)
InChIKeyFMRUXHFQFWNLHA-UHFFFAOYSA-N
MW420.92 g/mol
LogP4.63
Rot. Bonds7

About N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 142078011) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID142078011
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCON=CC(C)(C)Cc1nc2cc(CC(=O)Nc3snc(C)c3Cl)ccc2o1
InChIInChI=1S/C19H21ClN4O3S/c1-11-17(20)18(28-24-11)23-15(25)8-12-5-6-14-13(7-12)22-16(27-14)9-19(2,3)10-21-26-4/h5-7,10H,8-9H2,1-4H3,(H,23,25)
InChIKeyFMRUXHFQFWNLHA-UHFFFAOYSA-N
XLogP4.63
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylbut-3-enyl)-1,3-benzoxazol-5-yl]acetamide
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N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2,2-trifluoroethyl)-1,3-benzoxazol-5-yl]propanamide
CID 22742111
2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide
CID 70273771
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
ditert-butyl 2-[2-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetyl]propanedioate
CID 142078009
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209
N-(4-chloro-3-ethyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]acetamide
CID 10137881

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide (CID 142078011) is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide is CON=CC(C)(C)Cc1nc2cc(CC(=O)Nc3snc(C)c3Cl)ccc2o1.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is FMRUXHFQFWNLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-11-17(20)18(28-24-11)23-15(25)8-12-5-6-14-13(7-12)22-16(27-14)9-19(2,3)10-21-26-4/h5-7,10H,8-9H2,1-4H3,(H,23,25).
What are the key properties of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide?
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 420.92 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 142078011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).