N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C16H16FN3O2 — CID 110406185

IUPACN-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)NC(C)(C)C#N
InChIInChI=1S/C16H16FN3O2/c1-10-13(8-14(21)20-16(2,3)9-18)19-15(22-10)11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyRZZLBVJMMPRYBP-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.75
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110406185) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110406185
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCc1oc(-c2ccc(F)cc2)nc1CC(=O)NC(C)(C)C#N
InChIInChI=1S/C16H16FN3O2/c1-10-13(8-14(21)20-16(2,3)9-18)19-15(22-10)11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyRZZLBVJMMPRYBP-UHFFFAOYSA-N
XLogP2.75
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629981
N-(6-bromo-3-pyridinyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110614696
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 110371730
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371758
3-[[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]thiolane-3-carboxylic acid
CID 166289586
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632372
N-[2-(dimethylamino)-2-phenylethyl]-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620881
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)acetamide
CID 110630339
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110406185) is N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is RZZLBVJMMPRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-13(8-14(21)20-16(2,3)9-18)19-15(22-10)11-4-6-12(17)7-5-11/h4-7H,8H2,1-3H3,(H,20,21).
What are the key properties of N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 301.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110406185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).