methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

C12H14N2O3 — CID 57245026

IUPACmethyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C12H14N2O3/c1-16-12(15)13-8-10-7-11(14-17-10)9-5-3-2-4-6-9/h2-7,10,14H,8H2,1H3,(H,13,15)
InChIKeyYNUPMUBLTRAKRV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.29
Rot. Bonds3

About methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate (PubChem CID 57245026) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
PubChem CID57245026
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
SMILESCOC(=O)NCC1C=C(c2ccccc2)NO1
InChIInChI=1S/C12H14N2O3/c1-16-12(15)13-8-10-7-11(14-17-10)9-5-3-2-4-6-9/h2-7,10,14H,8H2,1H3,(H,13,15)
InChIKeyYNUPMUBLTRAKRV-UHFFFAOYSA-N
XLogP1.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate?
The IUPAC name of methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate (CID 57245026) is methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate is COC(=O)NCC1C=C(c2ccccc2)NO1.
What is the InChIKey of methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate?
The InChIKey is YNUPMUBLTRAKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-12(15)13-8-10-7-11(14-17-10)9-5-3-2-4-6-9/h2-7,10,14H,8H2,1H3,(H,13,15).
What are the key properties of methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate?
methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate has a molecular weight of 234.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate is sourced from PubChem (CID 57245026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).