1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea

C18H20FN3O2 — CID 167946087

IUPAC1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCc1ccc(-c2cccnc2)c(F)c1)NCC1CCCO1
InChIInChI=1S/C18H20FN3O2/c19-17-9-13(5-6-16(17)14-3-1-7-20-11-14)10-21-18(23)22-12-15-4-2-8-24-15/h1,3,5-7,9,11,15H,2,4,8,10,12H2,(H2,21,22,23)
InChIKeyQWZAYQOFWNALPS-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.87
Rot. Bonds5

About 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea

1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 167946087) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID167946087
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCc1ccc(-c2cccnc2)c(F)c1)NCC1CCCO1
InChIInChI=1S/C18H20FN3O2/c19-17-9-13(5-6-16(17)14-3-1-7-20-11-14)10-21-18(23)22-12-15-4-2-8-24-15/h1,3,5-7,9,11,15H,2,4,8,10,12H2,(H2,21,22,23)
InChIKeyQWZAYQOFWNALPS-UHFFFAOYSA-N
XLogP2.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide
CID 124991594
4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]oxane-4-carboxamide
CID 124991593
N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082846
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953
1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 95135685

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea (CID 167946087) is 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea is O=C(NCc1ccc(-c2cccnc2)c(F)c1)NCC1CCCO1.
What is the InChIKey of 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is QWZAYQOFWNALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-17-9-13(5-6-16(17)14-3-1-7-20-11-14)10-21-18(23)22-12-15-4-2-8-24-15/h1,3,5-7,9,11,15H,2,4,8,10,12H2,(H2,21,22,23).
What are the key properties of 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea?
1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 329.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 167946087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).