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

C14H13N3O2 — CID 166330628

IUPAC2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CC#N)noc1-c1ccccc1
InChIInChI=1S/C14H13N3O2/c1-10-12(9-16-13(18)7-8-15)17-19-14(10)11-5-3-2-4-6-11/h2-6H,7,9H2,1H3,(H,16,18)
InChIKeySJNIUISDKVUPLN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds4

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

2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 166330628) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID166330628
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CC#N)noc1-c1ccccc1
InChIInChI=1S/C14H13N3O2/c1-10-12(9-16-13(18)7-8-15)17-19-14(10)11-5-3-2-4-6-11/h2-6H,7,9H2,1H3,(H,16,18)
InChIKeySJNIUISDKVUPLN-UHFFFAOYSA-N
XLogP2.18
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 167823701
N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 167938038
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
CID 166330680
3-(2-bromophenyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 166330657
N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 166330645
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 155968405
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (CID 166330628) is 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is Cc1c(CNC(=O)CC#N)noc1-c1ccccc1.
What is the InChIKey of 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is SJNIUISDKVUPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10-12(9-16-13(18)7-8-15)17-19-14(10)11-5-3-2-4-6-11/h2-6H,7,9H2,1H3,(H,16,18).
What are the key properties of 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166330628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).