N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H18N2O3 — CID 78957069

IUPACN-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1(CNC(=O)C2CC(c3ccccc3)=NO2)COC1
InChIInChI=1S/C15H18N2O3/c1-15(9-19-10-15)8-16-14(18)13-7-12(17-20-13)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18)
InChIKeyZESNTRYJYVJVLQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 78957069) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID78957069
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1(CNC(=O)C2CC(c3ccccc3)=NO2)COC1
InChIInChI=1S/C15H18N2O3/c1-15(9-19-10-15)8-16-14(18)13-7-12(17-20-13)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18)
InChIKeyZESNTRYJYVJVLQ-UHFFFAOYSA-N
XLogP1.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 78957069) is N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1(CNC(=O)C2CC(c3ccccc3)=NO2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZESNTRYJYVJVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(9-19-10-15)8-16-14(18)13-7-12(17-20-13)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78957069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).