1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

C14H13N3O3 — CID 893290

IUPAC1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)NCc3ccco3)ccc2o1
InChIInChI=1S/C14H13N3O3/c1-9-16-12-7-10(4-5-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyKMYGOGUCLTWERN-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (PubChem CID 893290) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
PubChem CID893290
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)NCc3ccco3)ccc2o1
InChIInChI=1S/C14H13N3O3/c1-9-16-12-7-10(4-5-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18)
InChIKeyKMYGOGUCLTWERN-UHFFFAOYSA-N
XLogP3.05
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (CID 893290) is 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is Cc1nc2cc(NC(=O)NCc3ccco3)ccc2o1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is KMYGOGUCLTWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-16-12-7-10(4-5-13(12)20-9)17-14(18)15-8-11-3-2-6-19-11/h2-7H,8H2,1H3,(H2,15,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 271.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 893290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).