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

C10H11N3O3 — CID 154857494

IUPAC1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2ccoc2)on1
InChIInChI=1S/C10H11N3O3/c1-7-4-9(16-13-7)12-10(14)11-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H2,11,12,14)
InChIKeyIFHZKHMPYSRUAT-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.90
Rot. Bonds3

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

1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 154857494) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID154857494
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NCc2ccoc2)on1
InChIInChI=1S/C10H11N3O3/c1-7-4-9(16-13-7)12-10(14)11-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H2,11,12,14)
InChIKeyIFHZKHMPYSRUAT-UHFFFAOYSA-N
XLogP1.90
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
1-(3-methyl-1,2-oxazol-5-yl)-3-(pyridazin-3-ylmethyl)urea
CID 154863683
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
1-(5-cyano-2-methylphenyl)-3-(furan-3-ylmethyl)urea
CID 75418487
1-(3-methyl-1,2-oxazol-5-yl)-3-(2-pyrimidin-2-ylethyl)urea
CID 166274717
1-(furan-3-ylmethyl)-3-(4-methylphenyl)sulfonylurea
CID 110874499
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(furan-3-ylmethyl)urea
CID 56813426
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 90203017
1-(3-methyl-1,2-oxazol-5-yl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 154857483

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 154857494) is 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NCc2ccoc2)on1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is IFHZKHMPYSRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-7-4-9(16-13-7)12-10(14)11-5-8-2-3-15-6-8/h2-4,6H,5H2,1H3,(H2,11,12,14).
What are the key properties of 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 221.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 154857494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).