3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine

C17H17ClN2O2 — CID 141063580

IUPAC3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(CC2CC2)O1
InChIInChI=1S/C17H17ClN2O2/c18-13-3-1-2-12(8-13)15-6-7-16(21-15)14-9-17(19)22-20(14)10-11-4-5-11/h1-3,6-9,11,14H,4-5,10,19H2
InChIKeyGEQHWWZXXNEFON-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.10
Rot. Bonds4

About 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine

3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063580) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine
PubChem CID141063580
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(CC2CC2)O1
InChIInChI=1S/C17H17ClN2O2/c18-13-3-1-2-12(8-13)15-6-7-16(21-15)14-9-17(19)22-20(14)10-11-4-5-11/h1-3,6-9,11,14H,4-5,10,19H2
InChIKeyGEQHWWZXXNEFON-UHFFFAOYSA-N
XLogP4.10
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine (CID 141063580) is 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(CC2CC2)O1.
What is the InChIKey of 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine?
The InChIKey is GEQHWWZXXNEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-3-1-2-12(8-13)15-6-7-16(21-15)14-9-17(19)22-20(14)10-11-4-5-11/h1-3,6-9,11,14H,4-5,10,19H2.
What are the key properties of 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine?
3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine has a molecular weight of 316.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)furan-2-yl]-2-(cyclopropylmethyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).