N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide

C16H21N3O2 — CID 18087249

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-15(21-18-13)17-14(20)11-19(4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,20)
InChIKeyXMHWCMRBDFSOPR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.05
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide (PubChem CID 18087249) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
PubChem CID18087249
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-10-15(21-18-13)17-14(20)11-19(4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,20)
InChIKeyXMHWCMRBDFSOPR-UHFFFAOYSA-N
XLogP3.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79645523
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 8622468
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18088803
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135848614
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide (CID 18087249) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide is CN(CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide?
The InChIKey is XMHWCMRBDFSOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)13-10-15(21-18-13)17-14(20)11-19(4)12-8-6-5-7-9-12/h5-10H,11H2,1-4H3,(H,17,20).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide is sourced from PubChem (CID 18087249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).