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4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine

C13H14N2O2 — CID 117332550

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(OC2CC2)c(-c2cnoc2N)c1
InChIInChI=1S/C13H14N2O2/c1-8-2-5-12(16-9-3-4-9)10(6-8)11-7-15-17-13(11)14/h2,5-7,9H,3-4,14H2,1H3
InChIKeyVSXULAUEGDNBIG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.77
Rot. Bonds3

About 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine

4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117332550) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117332550
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(OC2CC2)c(-c2cnoc2N)c1
InChIInChI=1S/C13H14N2O2/c1-8-2-5-12(16-9-3-4-9)10(6-8)11-7-15-17-13(11)14/h2,5-7,9H,3-4,14H2,1H3
InChIKeyVSXULAUEGDNBIG-UHFFFAOYSA-N
XLogP2.77
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117332550) is 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(OC2CC2)c(-c2cnoc2N)c1.
What is the InChIKey of 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is VSXULAUEGDNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-2-5-12(16-9-3-4-9)10(6-8)11-7-15-17-13(11)14/h2,5-7,9H,3-4,14H2,1H3.
What are the key properties of 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine?
4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 230.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117332550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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