(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid

C12H16N2O3 — CID 151828813

IUPAC(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2ccccc2)O1
InChIInChI=1S/C12H16N2O3/c15-12(16)13-8-11-6-7-14(17-11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)
InChIKeySEFBQEFXOAESHW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds4

About (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid

(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid (PubChem CID 151828813) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid
PubChem CID151828813
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2ccccc2)O1
InChIInChI=1S/C12H16N2O3/c15-12(16)13-8-11-6-7-14(17-11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)
InChIKeySEFBQEFXOAESHW-UHFFFAOYSA-N
XLogP1.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid?
The IUPAC name of (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid (CID 151828813) is (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid.
What is the SMILES notation for (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid?
The canonical SMILES for (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid is O=C(O)NCC1CCN(Cc2ccccc2)O1.
What is the InChIKey of (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid?
The InChIKey is SEFBQEFXOAESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)13-8-11-6-7-14(17-11)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16).
What are the key properties of (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid?
(2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid has a molecular weight of 236.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,2-oxazolidin-5-yl)methylcarbamic acid is sourced from PubChem (CID 151828813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).