1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea

C19H19N3O3 — CID 51085457

IUPAC1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H19N3O3/c23-19(21-12-17-6-1-2-9-20-17)22-16-7-3-5-15(11-16)13-24-14-18-8-4-10-25-18/h1-11H,12-14H2,(H2,21,22,23)
InChIKeyVYUQFTBLBCTKEA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.71
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 51085457) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID51085457
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H19N3O3/c23-19(21-12-17-6-1-2-9-20-17)22-16-7-3-5-15(11-16)13-24-14-18-8-4-10-25-18/h1-11H,12-14H2,(H2,21,22,23)
InChIKeyVYUQFTBLBCTKEA-UHFFFAOYSA-N
XLogP3.71
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47050133
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea (CID 51085457) is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is VYUQFTBLBCTKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(21-12-17-6-1-2-9-20-17)22-16-7-3-5-15(11-16)13-24-14-18-8-4-10-25-18/h1-11H,12-14H2,(H2,21,22,23).
What are the key properties of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea?
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 51085457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).