2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C15H17N5O3 — CID 91783278

IUPAC2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H17N5O3/c1-11(18-14(21)8-19-6-7-23-15(19)22)12-2-4-13(5-3-12)20-10-16-9-17-20/h2-5,9-11H,6-8H2,1H3,(H,18,21)
InChIKeyHOUZQMQMNYNPCB-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.90
Rot. Bonds5

About 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 91783278) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID91783278
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H17N5O3/c1-11(18-14(21)8-19-6-7-23-15(19)22)12-2-4-13(5-3-12)20-10-16-9-17-20/h2-5,9-11H,6-8H2,1H3,(H,18,21)
InChIKeyHOUZQMQMNYNPCB-UHFFFAOYSA-N
XLogP0.90
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 47017963
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25401910
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
2-thiophen-3-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 8933948
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 92786787
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 91783278) is 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is CC(NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is HOUZQMQMNYNPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-11(18-14(21)8-19-6-7-23-15(19)22)12-2-4-13(5-3-12)20-10-16-9-17-20/h2-5,9-11H,6-8H2,1H3,(H,18,21).
What are the key properties of 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 315.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 91783278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).