4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine

C14H16N2O3 — CID 117404879

IUPAC4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1OCC1CC1
InChIInChI=1S/C14H16N2O3/c1-17-13-6-10(11-7-16-19-14(11)15)4-5-12(13)18-8-9-2-3-9/h4-7,9H,2-3,8,15H2,1H3
InChIKeyQLPSOZGSIKUZNU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.72
Rot. Bonds5

About 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine

4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117404879) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117404879
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)ccc1OCC1CC1
InChIInChI=1S/C14H16N2O3/c1-17-13-6-10(11-7-16-19-14(11)15)4-5-12(13)18-8-9-2-3-9/h4-7,9H,2-3,8,15H2,1H3
InChIKeyQLPSOZGSIKUZNU-UHFFFAOYSA-N
XLogP2.72
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine (CID 117404879) is 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)ccc1OCC1CC1.
What is the InChIKey of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is QLPSOZGSIKUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-17-13-6-10(11-7-16-19-14(11)15)4-5-12(13)18-8-9-2-3-9/h4-7,9H,2-3,8,15H2,1H3.
What are the key properties of 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine?
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 260.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117404879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).