1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea

C17H15N3O3 — CID 47041330

IUPAC1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
SMILESO=C(NCc1ccco1)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-17(19-12-14-8-5-11-22-14)20-15-9-4-10-18-16(15)23-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21)
InChIKeyZMMUKSQXHKBPSR-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.79
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea

1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea (PubChem CID 47041330) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
PubChem CID47041330
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
SMILESO=C(NCc1ccco1)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-17(19-12-14-8-5-11-22-14)20-15-9-4-10-18-16(15)23-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21)
InChIKeyZMMUKSQXHKBPSR-UHFFFAOYSA-N
XLogP3.79
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
1-(furan-2-ylmethyl)-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603582
N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
CID 108945159
2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2-phenoxy-3-pyridinyl)carbamoylamino]propanamide
CID 52511996

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea (CID 47041330) is 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea is O=C(NCc1ccco1)Nc1cccnc1Oc1ccccc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea?
The InChIKey is ZMMUKSQXHKBPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(19-12-14-8-5-11-22-14)20-15-9-4-10-18-16(15)23-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea?
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea has a molecular weight of 309.33 g/mol, XLogP of 3.79, 5 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-phenoxy-3-pyridinyl)urea is sourced from PubChem (CID 47041330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).