5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine

C14H16N2O3S — CID 117472099

IUPAC5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)ccc1OC1CCSC1
InChIInChI=1S/C14H16N2O3S/c1-17-13-6-9(12-7-14(15)16-19-12)2-3-11(13)18-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H2,15,16)
InChIKeyDNJYPAPETQBOSO-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.82
Rot. Bonds4

About 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine

5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 117472099) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
PubChem CID117472099
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)ccc1OC1CCSC1
InChIInChI=1S/C14H16N2O3S/c1-17-13-6-9(12-7-14(15)16-19-12)2-3-11(13)18-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H2,15,16)
InChIKeyDNJYPAPETQBOSO-UHFFFAOYSA-N
XLogP2.82
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
3-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491631
5-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-3-amine
CID 117467434
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
O-[[3-methoxy-4-(thiolan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117391644
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine (CID 117472099) is 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)ccc1OC1CCSC1.
What is the InChIKey of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is DNJYPAPETQBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-17-13-6-9(12-7-14(15)16-19-12)2-3-11(13)18-10-4-5-20-8-10/h2-3,6-7,10H,4-5,8H2,1H3,(H2,15,16).
What are the key properties of 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 292.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117472099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).