(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C6H8N4O2 — CID 59994668

IUPAC(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11)/t5-/m1/s1
InChIKeyITFGTTNNFLMRSG-RXMQYKEDSA-N
MW168.16 g/mol
LogP-0.61
Rot. Bonds2

About (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 59994668) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID59994668
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11)/t5-/m1/s1
InChIKeyITFGTTNNFLMRSG-RXMQYKEDSA-N
XLogP-0.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(Fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58840986
5-[(4-Fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078029
2,2,2-trifluoroethyl N-[3-(triazol-1-yl)propyl]carbamate
CID 113411902
N-[2-hydroxy-3-(triazol-1-yl)propyl]formamide
CID 22136774
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
3-Methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58836482
5-[[4-(Aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62055901
(5R)-3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 90455204
[(2S)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]carbamic acid
CID 118525703
(5R)-5-[(1R)-1-amino-2-(triazol-2-yl)ethyl]-1,3-oxazolidin-2-one
CID 134608066
(5R)-5-[1-amino-2-(triazol-2-yl)ethyl]-1,3-oxazolidin-2-one
CID 134608069
2-(Triazol-1-ylmethyl)-1,3-oxazolidine
CID 139972157

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 59994668) is (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NC[C@H](Cn2ccnn2)O1.
What is the InChIKey of (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ITFGTTNNFLMRSG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11)/t5-/m1/s1.
What are the key properties of (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 168.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59994668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).