N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

C18H24FN3O2 — CID 18088803

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(F)c1
InChIInChI=1S/C18H24FN3O2/c1-5-22(11-13-7-6-8-14(19)9-13)12-16(23)20-17-10-15(21-24-17)18(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,20,23)
InChIKeyOVAQYAOUAJEQLI-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.57
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 18088803) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
PubChem CID18088803
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(F)c1
InChIInChI=1S/C18H24FN3O2/c1-5-22(11-13-7-6-8-14(19)9-13)12-16(23)20-17-10-15(21-24-17)18(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,20,23)
InChIKeyOVAQYAOUAJEQLI-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.57
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-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 17443267
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135848614
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(diethylaminomethyl)anilino]acetamide
CID 60536649
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 36801943
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8689948
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-benzyl-2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]benzamide
CID 26649782
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (CID 18088803) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(F)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is OVAQYAOUAJEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-5-22(11-13-7-6-8-14(19)9-13)12-16(23)20-17-10-15(21-24-17)18(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 333.41 g/mol, XLogP of 3.57, 6 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-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 18088803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).