N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C14H13N3O2 — CID 17425777

IUPACN-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O2/c1-9-13(10(2)19-17-9)7-14(18)16-12-5-3-4-11(6-12)8-15/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyBLVDOMYBTGXVSG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.34
Rot. Bonds3

About N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 17425777) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID17425777
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O2/c1-9-13(10(2)19-17-9)7-14(18)16-12-5-3-4-11(6-12)8-15/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyBLVDOMYBTGXVSG-UHFFFAOYSA-N
XLogP2.34
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18166286
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 39043000
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107240
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide;hydrochloride
CID 119581065
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 78802108

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 17425777) is N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is BLVDOMYBTGXVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-13(10(2)19-17-9)7-14(18)16-12-5-3-4-11(6-12)8-15/h3-6H,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 17425777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).