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

C14H10Cl2N2O3 — CID 106690651

IUPAC5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)noc1-c1ccoc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-19-10-3-2-7(15)6-9(10)11-12(21-18-14(11)17)8-4-5-20-13(8)16/h2-6H,1H3,(H2,17,18)
InChIKeyKJQJEDNHCLPPAN-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.50
Rot. Bonds3

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

5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 106690651) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID106690651
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)noc1-c1ccoc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c1-19-10-3-2-7(15)6-9(10)11-12(21-18-14(11)17)8-4-5-20-13(8)16/h2-6H,1H3,(H2,17,18)
InChIKeyKJQJEDNHCLPPAN-UHFFFAOYSA-N
XLogP4.50
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 106856450
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(4-chloro-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521231
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
CID 106690691
4-(2,4-dichlorophenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66200956
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
4-(5-chloro-2-methoxyphenyl)-3-(furan-3-yl)-1,2-oxazol-5-amine
CID 43336120
5-amino-4-(5-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82092642

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (CID 106690651) is 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(Cl)cc1-c1c(N)noc1-c1ccoc1Cl.
What is the InChIKey of 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is KJQJEDNHCLPPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c1-19-10-3-2-7(15)6-9(10)11-12(21-18-14(11)17)8-4-5-20-13(8)16/h2-6H,1H3,(H2,17,18).
What are the key properties of 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 325.15 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 106690651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).