3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one

C18H20N2O3 — CID 110006719

IUPAC3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1N1CCOC1=O
InChIInChI=1S/C18H20N2O3/c1-13-2-7-16(10-17(13)20-8-9-23-18(20)22)19-11-14-3-5-15(12-21)6-4-14/h2-7,10,19,21H,8-9,11-12H2,1H3
InChIKeyNWKDWJXBCMHOBA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.06
Rot. Bonds5

About 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one

3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 110006719) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID110006719
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(NCc2ccc(CO)cc2)cc1N1CCOC1=O
InChIInChI=1S/C18H20N2O3/c1-13-2-7-16(10-17(13)20-8-9-23-18(20)22)19-11-14-3-5-15(12-21)6-4-14/h2-7,10,19,21H,8-9,11-12H2,1H3
InChIKeyNWKDWJXBCMHOBA-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one (CID 110006719) is 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(NCc2ccc(CO)cc2)cc1N1CCOC1=O.
What is the InChIKey of 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is NWKDWJXBCMHOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-2-7-16(10-17(13)20-8-9-23-18(20)22)19-11-14-3-5-15(12-21)6-4-14/h2-7,10,19,21H,8-9,11-12H2,1H3.
What are the key properties of 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one?
3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110006719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).