(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one

C13H14N2O4S — CID 97277452

IUPAC(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1oc(-c2cccs2)nc1CN1C(=O)OC[C@H]1CO
InChIInChI=1S/C13H14N2O4S/c1-8-10(5-15-9(6-16)7-18-13(15)17)14-12(19-8)11-3-2-4-20-11/h2-4,9,16H,5-7H2,1H3/t9-/m1/s1
InChIKeyMFLQWCPFNYIYFG-SECBINFHSA-N
MW294.33 g/mol
LogP2.02
Rot. Bonds4

About (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one

(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 97277452) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID97277452
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1oc(-c2cccs2)nc1CN1C(=O)OC[C@H]1CO
InChIInChI=1S/C13H14N2O4S/c1-8-10(5-15-9(6-16)7-18-13(15)17)14-12(19-8)11-3-2-4-20-11/h2-4,9,16H,5-7H2,1H3/t9-/m1/s1
InChIKeyMFLQWCPFNYIYFG-SECBINFHSA-N
XLogP2.02
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
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[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
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[(3aR,7aR)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
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N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
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(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
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CID 30295078
2-[(2S)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one (CID 97277452) is (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one is Cc1oc(-c2cccs2)nc1CN1C(=O)OC[C@H]1CO.
What is the InChIKey of (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MFLQWCPFNYIYFG-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8-10(5-15-9(6-16)7-18-13(15)17)14-12(19-8)11-3-2-4-20-11/h2-4,9,16H,5-7H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 294.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97277452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).