(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C14H13N5O3 — CID 24737782

IUPAC(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1noc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc12
InChIInChI=1S/C14H13N5O3/c1-9-12-3-2-10(6-13(12)22-16-9)19-8-11(21-14(19)20)7-18-5-4-15-17-18/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyYBHCQYXCJGYJAQ-NSHDSACASA-N
MW299.29 g/mol
LogP1.75
Rot. Bonds3

About (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 24737782) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID24737782
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1noc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc12
InChIInChI=1S/C14H13N5O3/c1-9-12-3-2-10(6-13(12)22-16-9)19-8-11(21-14(19)20)7-18-5-4-15-17-18/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyYBHCQYXCJGYJAQ-NSHDSACASA-N
XLogP1.75
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(aminomethyl)-3-(3-methyl-1,2-benzoxazol-6-yl)-1,3-oxazolidin-2-one;hydrochloride
CID 68916606
(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24738079
(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
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
[[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-methylsulfanylmethylidene]azanium
CID 59988988
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
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-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25049886
(5R)-3-[3-fluoro-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105500

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 24737782) is (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1noc2cc(N3C[C@H](Cn4ccnn4)OC3=O)ccc12.
What is the InChIKey of (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YBHCQYXCJGYJAQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N5O3/c1-9-12-3-2-10(6-13(12)22-16-9)19-8-11(21-14(19)20)7-18-5-4-15-17-18/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 299.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24737782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).