2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide

C15H15N3O2 — CID 106371943

IUPAC2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)C(C#N)Cc2ccccc2)o1
InChIInChI=1S/C15H15N3O2/c1-11-9-17-14(20-11)10-18-15(19)13(8-16)7-12-5-3-2-4-6-12/h2-6,9,13H,7,10H2,1H3,(H,18,19)
InChIKeyTWLZJDQTXXHYNZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.98
Rot. Bonds5

About 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide

2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 106371943) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID106371943
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)C(C#N)Cc2ccccc2)o1
InChIInChI=1S/C15H15N3O2/c1-11-9-17-14(20-11)10-18-15(19)13(8-16)7-12-5-3-2-4-6-12/h2-6,9,13H,7,10H2,1H3,(H,18,19)
InChIKeyTWLZJDQTXXHYNZ-UHFFFAOYSA-N
XLogP1.98
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-cyano-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 82873118
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 104761601
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide (CID 106371943) is 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide is Cc1cnc(CNC(=O)C(C#N)Cc2ccccc2)o1.
What is the InChIKey of 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is TWLZJDQTXXHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-9-17-14(20-11)10-18-15(19)13(8-16)7-12-5-3-2-4-6-12/h2-6,9,13H,7,10H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide?
2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 269.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 106371943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).