1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine

C15H18N2O — CID 117358112

IUPAC1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine
SMILESCc1coc(-c2ccc(C3(C(C)N)CC3)cc2)n1
InChIInChI=1S/C15H18N2O/c1-10-9-18-14(17-10)12-3-5-13(6-4-12)15(7-8-15)11(2)16/h3-6,9,11H,7-8,16H2,1-2H3
InChIKeyUOBHIJGXTGUBGT-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.03
Rot. Bonds3

About 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine

1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine (PubChem CID 117358112) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine
PubChem CID117358112
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine
SMILESCc1coc(-c2ccc(C3(C(C)N)CC3)cc2)n1
InChIInChI=1S/C15H18N2O/c1-10-9-18-14(17-10)12-3-5-13(6-4-12)15(7-8-15)11(2)16/h3-6,9,11H,7-8,16H2,1-2H3
InChIKeyUOBHIJGXTGUBGT-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117330636
O-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]hydroxylamine
CID 117292521
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166
2-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]propan-2-ol
CID 84682769
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117354707
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
1-[1-(4-iodophenyl)cyclopentyl]ethanamine
CID 117047031
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
CID 117394498
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084536

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine (CID 117358112) is 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine is Cc1coc(-c2ccc(C3(C(C)N)CC3)cc2)n1.
What is the InChIKey of 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine?
The InChIKey is UOBHIJGXTGUBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-9-18-14(17-10)12-3-5-13(6-4-12)15(7-8-15)11(2)16/h3-6,9,11H,7-8,16H2,1-2H3.
What are the key properties of 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine?
1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine has a molecular weight of 242.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117358112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).