N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide

C15H17N5O3 — CID 126839263

IUPACN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]n1)Nc1ccc(CN2CCOC2=O)cc1
InChIInChI=1S/C15H17N5O3/c21-14(6-5-13-9-16-19-18-13)17-12-3-1-11(2-4-12)10-20-7-8-23-15(20)22/h1-4,9H,5-8,10H2,(H,17,21)(H,16,18,19)
InChIKeyZDROJLZMMWKXBY-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.33
Rot. Bonds6

About N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide

N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide (PubChem CID 126839263) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide
PubChem CID126839263
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]n1)Nc1ccc(CN2CCOC2=O)cc1
InChIInChI=1S/C15H17N5O3/c21-14(6-5-13-9-16-19-18-13)17-12-3-1-11(2-4-12)10-20-7-8-23-15(20)22/h1-4,9H,5-8,10H2,(H,17,21)(H,16,18,19)
InChIKeyZDROJLZMMWKXBY-UHFFFAOYSA-N
XLogP1.33
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide?
The IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide (CID 126839263) is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide?
The canonical SMILES for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide is O=C(CCc1cn[nH]n1)Nc1ccc(CN2CCOC2=O)cc1.
What is the InChIKey of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide?
The InChIKey is ZDROJLZMMWKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14(6-5-13-9-16-19-18-13)17-12-3-1-11(2-4-12)10-20-7-8-23-15(20)22/h1-4,9H,5-8,10H2,(H,17,21)(H,16,18,19).
What are the key properties of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide?
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide has a molecular weight of 315.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide is sourced from PubChem (CID 126839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).