7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine

C12H10N2O2 — CID 131632987

IUPAC7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(-c2ccco2)c2oc(N)nc2c1
InChIInChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)
InChIKeyPCWTZLKSTFUZKW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.98
Rot. Bonds1

About 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine

7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 131632987) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
PubChem CID131632987
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCc1cc(-c2ccco2)c2oc(N)nc2c1
InChIInChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14)
InChIKeyPCWTZLKSTFUZKW-UHFFFAOYSA-N
XLogP2.98
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine (CID 131632987) is 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine is Cc1cc(-c2ccco2)c2oc(N)nc2c1.
What is the InChIKey of 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is PCWTZLKSTFUZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-5-8(10-3-2-4-15-10)11-9(6-7)14-12(13)16-11/h2-6H,1H3,(H2,13,14).
What are the key properties of 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine?
7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 214.22 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 131632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).