N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O2 — CID 3064028

IUPACN-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(CNC2=NCCO2)cc1
InChIInChI=1S/C11H14N2O2/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyBTRLNNOHLYYWBM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.17
Rot. Bonds3

About N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine

N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 3064028) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID3064028
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCOc1ccc(CNC2=NCCO2)cc1
InChIInChI=1S/C11H14N2O2/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyBTRLNNOHLYYWBM-UHFFFAOYSA-N
XLogP1.17
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 3064028) is N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is COc1ccc(CNC2=NCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BTRLNNOHLYYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-10-4-2-9(3-5-10)8-13-11-12-6-7-15-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 206.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 3064028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).