1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea

C17H18N4O4 — CID 75433416

IUPAC1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCc1ccco1)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H18N4O4/c22-16(18-11-13-2-1-7-24-13)19-12-3-4-14-15(10-12)25-17(20-14)21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H2,18,19,22)
InChIKeyCXQGUUGFABBOCG-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.58
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea

1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea (PubChem CID 75433416) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea
PubChem CID75433416
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea
SMILESO=C(NCc1ccco1)Nc1ccc2nc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H18N4O4/c22-16(18-11-13-2-1-7-24-13)19-12-3-4-14-15(10-12)25-17(20-14)21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H2,18,19,22)
InChIKeyCXQGUUGFABBOCG-UHFFFAOYSA-N
XLogP2.58
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea (CID 75433416) is 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea is O=C(NCc1ccco1)Nc1ccc2nc(N3CCOCC3)oc2c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea?
The InChIKey is CXQGUUGFABBOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16(18-11-13-2-1-7-24-13)19-12-3-4-14-15(10-12)25-17(20-14)21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H2,18,19,22).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea?
1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea has a molecular weight of 342.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 75433416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).