4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine

C14H9ClN2O4 — CID 106690658

IUPAC4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H9ClN2O4/c15-11-4-3-9(20-11)13-12(14(16)17-21-13)7-1-2-8-10(5-7)19-6-18-8/h1-5H,6H2,(H2,16,17)
InChIKeyDEYHMSXXQOVRSZ-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.57
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine

4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine (PubChem CID 106690658) has the molecular formula C14H9ClN2O4 and a molecular weight of 304.69 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
PubChem CID106690658
Molecular FormulaC14H9ClN2O4
Molecular Weight304.69 g/mol
Exact Mass304.03
IUPAC Name4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)o2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H9ClN2O4/c15-11-4-3-9(20-11)13-12(14(16)17-21-13)7-1-2-8-10(5-7)19-6-18-8/h1-5H,6H2,(H2,16,17)
InChIKeyDEYHMSXXQOVRSZ-UHFFFAOYSA-N
XLogP3.57
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chlorofuran-2-yl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 106690632
5-(5-chlorofuran-2-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 106690678
5-(5-bromofuran-2-yl)-4-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200021
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690672
5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
CID 82472014
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66201299
4-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
CID 66199527

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine (CID 106690658) is 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)o2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
The InChIKey is DEYHMSXXQOVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4/c15-11-4-3-9(20-11)13-12(14(16)17-21-13)7-1-2-8-10(5-7)19-6-18-8/h1-5H,6H2,(H2,16,17).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine?
4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine has a molecular weight of 304.69 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106690658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).