N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H24N2O3 — CID 100636866

IUPACN-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12-16(13(2)24-21-12)10-18(23)20-11-17(22)14-6-8-15(9-7-14)19(3,4)5/h6-9H,10-11H2,1-5H3,(H,20,23)
InChIKeyVUZRPDMKWMGMGL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 100636866) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID100636866
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12-16(13(2)24-21-12)10-18(23)20-11-17(22)14-6-8-15(9-7-14)19(3,4)5/h6-9H,10-11H2,1-5H3,(H,20,23)
InChIKeyVUZRPDMKWMGMGL-UHFFFAOYSA-N
XLogP3.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
N-(2,3-dihydroxy-2-methylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 66168831
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 27813023
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 99695697
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480631
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762
N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119522371
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 100636866) is N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is VUZRPDMKWMGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-16(13(2)24-21-12)10-18(23)20-11-17(22)14-6-8-15(9-7-14)19(3,4)5/h6-9H,10-11H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 100636866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).