4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene

C14H16N2O — CID 143728772

IUPAC4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene
SMILESCc1cccc2ccccc12.NC1=NCCO1
InChIInChI=1S/C11H10.C3H6N2O/c1-9-5-4-7-10-6-2-3-8-11(9)10;4-3-5-1-2-6-3/h2-8H,1H3;1-2H2,(H2,4,5)
InChIKeyPGTIYOAIHJVQGL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.48
Rot. Bonds

About 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene

4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene (PubChem CID 143728772) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene
PubChem CID143728772
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene
SMILESCc1cccc2ccccc12.NC1=NCCO1
InChIInChI=1S/C11H10.C3H6N2O/c1-9-5-4-7-10-6-2-3-8-11(9)10;4-3-5-1-2-6-3/h2-8H,1H3;1-2H2,(H2,4,5)
InChIKeyPGTIYOAIHJVQGL-UHFFFAOYSA-N
XLogP2.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2,3-dihydro-1,4-benzodioxine;1-methylnaphthalene
CID 143901590
acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
ethane;1-methylnaphthalene;toluene
CID 91013579
carbonic acid;1-methylnaphthalene
CID 66808059
butan-1-amine;1-methylnaphthalene
CID 143588906
1-methylnaphthalene;stilbene
CID 173370087
2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
CID 123295545
methane;1-methylphenanthrene
CID 175001905
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
cyclopentanesulfonamide;1-methylnaphthalene
CID 22999254
4,5-dihydro-1,3-oxazole;naphthalen-1-amine
CID 175147441

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene (CID 143728772) is 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene is Cc1cccc2ccccc12.NC1=NCCO1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene?
The InChIKey is PGTIYOAIHJVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C3H6N2O/c1-9-5-4-7-10-6-2-3-8-11(9)10;4-3-5-1-2-6-3/h2-8H,1H3;1-2H2,(H2,4,5).
What are the key properties of 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene?
4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene has a molecular weight of 228.29 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-amine;1-methylnaphthalene is sourced from PubChem (CID 143728772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).