5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine

C14H16N2O4 — CID 117442341

IUPAC5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESCOc1c(OC2CCOC2)cccc1-c1cc(N)no1
InChIInChI=1S/C14H16N2O4/c1-17-14-10(12-7-13(15)16-20-12)3-2-4-11(14)19-9-5-6-18-8-9/h2-4,7,9H,5-6,8H2,1H3,(H2,15,16)
InChIKeyNTPZKWZHFBKPIJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.10
Rot. Bonds4

About 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine

5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 117442341) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
PubChem CID117442341
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESCOc1c(OC2CCOC2)cccc1-c1cc(N)no1
InChIInChI=1S/C14H16N2O4/c1-17-14-10(12-7-13(15)16-20-12)3-2-4-11(14)19-9-5-6-18-8-9/h2-4,7,9H,5-6,8H2,1H3,(H2,15,16)
InChIKeyNTPZKWZHFBKPIJ-UHFFFAOYSA-N
XLogP2.10
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(oxetan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117335998
5-(2-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117307996
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-2-methylpropan-2-amine
CID 117417898
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
[2-methoxy-3-(oxolan-3-yloxy)phenyl]methanol
CID 84689080
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
5-[3-(1,1-difluoroethyl)-2-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388330
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine (CID 117442341) is 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine is COc1c(OC2CCOC2)cccc1-c1cc(N)no1.
What is the InChIKey of 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is NTPZKWZHFBKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-17-14-10(12-7-13(15)16-20-12)3-2-4-11(14)19-9-5-6-18-8-9/h2-4,7,9H,5-6,8H2,1H3,(H2,15,16).
What are the key properties of 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 276.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-3-(oxolan-3-yloxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117442341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).