N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H25N3O2 — CID 119525893

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25N3O2/c1-11(2)14-5-7-15(8-6-14)17(19)10-20-18(22)9-16-12(3)21-23-13(16)4/h5-8,11,17H,9-10,19H2,1-4H3,(H,20,22)
InChIKeyKGQQCRDQZZEFDX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 119525893) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID119525893
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25N3O2/c1-11(2)14-5-7-15(8-6-14)17(19)10-20-18(22)9-16-12(3)21-23-13(16)4/h5-8,11,17H,9-10,19H2,1-4H3,(H,20,22)
InChIKeyKGQQCRDQZZEFDX-UHFFFAOYSA-N
XLogP2.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 119525761
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-methylbutanoic acid
CID 80539351
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 63294569

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 119525893) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is KGQQCRDQZZEFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)14-5-7-15(8-6-14)17(19)10-20-18(22)9-16-12(3)21-23-13(16)4/h5-8,11,17H,9-10,19H2,1-4H3,(H,20,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 119525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).