2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide

C17H22ClN3O2 — CID 154782107

IUPAC2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1coc(C(C)(C)C)n1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,3)16-20-12(10-23-16)9-19-14-8-11(18)6-7-13(14)15(22)21(4)5/h6-8,10,19H,9H2,1-5H3
InChIKeyCOWMNRZVMHFEHL-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.94
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide

2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 154782107) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID154782107
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1coc(C(C)(C)C)n1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,3)16-20-12(10-23-16)9-19-14-8-11(18)6-7-13(14)15(22)21(4)5/h6-8,10,19H,9H2,1-5H3
InChIKeyCOWMNRZVMHFEHL-UHFFFAOYSA-N
XLogP3.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide (CID 154782107) is 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1coc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is COWMNRZVMHFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-17(2,3)16-20-12(10-23-16)9-19-14-8-11(18)6-7-13(14)15(22)21(4)5/h6-8,10,19H,9H2,1-5H3.
What are the key properties of 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide?
2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 335.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-oxazol-4-yl)methylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 154782107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).