1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea

C17H19FN4O3 — CID 71865767

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H19FN4O3/c18-11-5-6-14(20-17(23)19-9-12-2-1-7-24-12)13(8-11)16-21-15(22-25-16)10-3-4-10/h5-6,8,10,12H,1-4,7,9H2,(H2,19,20,23)
InChIKeyBFIFCWGHFAXWHV-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 71865767) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID71865767
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
SMILESO=C(NCC1CCCO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H19FN4O3/c18-11-5-6-14(20-17(23)19-9-12-2-1-7-24-12)13(8-11)16-21-15(22-25-16)10-3-4-10/h5-6,8,10,12H,1-4,7,9H2,(H2,19,20,23)
InChIKeyBFIFCWGHFAXWHV-UHFFFAOYSA-N
XLogP3.05
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea with MolForge

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 75505135
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 40789452
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 17435912
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95615000
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122086081
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea (CID 71865767) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea is O=C(NCC1CCCO1)Nc1ccc(F)cc1-c1nc(C2CC2)no1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is BFIFCWGHFAXWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-11-5-6-14(20-17(23)19-9-12-2-1-7-24-12)13(8-11)16-21-15(22-25-16)10-3-4-10/h5-6,8,10,12H,1-4,7,9H2,(H2,19,20,23).
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 346.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71865767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).