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

C14H14N6O2 — CID 24738079

IUPAC(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc21
InChIInChI=1S/C14H14N6O2/c1-18-13-3-2-11(6-10(13)7-16-18)20-9-12(22-14(20)21)8-19-5-4-15-17-19/h2-7,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyPCAXMIVVWWCVPR-LBPRGKRZSA-N
MW298.31 g/mol
LogP1.19
Rot. Bonds3

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

(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 24738079) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID24738079
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc21
InChIInChI=1S/C14H14N6O2/c1-18-13-3-2-11(6-10(13)7-16-18)20-9-12(22-14(20)21)8-19-5-4-15-17-19/h2-7,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyPCAXMIVVWWCVPR-LBPRGKRZSA-N
XLogP1.19
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(5R)-3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 87822785
(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24737782
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
2-methyl-3-[3-(1-methylindazol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]-2-methylsulfonylpropanal
CID 144840910
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626595
3-[4-(1-isocyanocyclopropyl)-3-methylphenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 20616660
[[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-methylsulfanylmethylidene]azanium
CID 59988988
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
(5R)-3-[4-[3-(dimethylphosphoryloxymethyl)-1,2-oxazol-5-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58625198
(5R)-3-[3-fluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 91314521

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 24738079) is (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cn1ncc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc21.
What is the InChIKey of (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is PCAXMIVVWWCVPR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-18-13-3-2-11(6-10(13)7-16-18)20-9-12(22-14(20)21)8-19-5-4-15-17-19/h2-7,12H,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 298.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24738079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).