1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

C15H19FN2O3 — CID 95334266

IUPAC1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)NC1CC1
InChIInChI=1S/C15H19FN2O3/c16-10-3-6-14(21-9-12-2-1-7-20-12)13(8-10)18-15(19)17-11-4-5-11/h3,6,8,11-12H,1-2,4-5,7,9H2,(H2,17,18,19)/t12-/m0/s1
InChIKeyYIPYCEBAVKVREU-LBPRGKRZSA-N
MW294.33 g/mol
LogP2.67
Rot. Bonds5

About 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea

1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (PubChem CID 95334266) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
PubChem CID95334266
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
SMILESO=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)NC1CC1
InChIInChI=1S/C15H19FN2O3/c16-10-3-6-14(21-9-12-2-1-7-20-12)13(8-10)18-15(19)17-11-4-5-11/h3,6,8,11-12H,1-2,4-5,7,9H2,(H2,17,18,19)/t12-/m0/s1
InChIKeyYIPYCEBAVKVREU-LBPRGKRZSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
CID 95616239
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea (CID 95334266) is 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
The InChIKey is YIPYCEBAVKVREU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-10-3-6-14(21-9-12-2-1-7-20-12)13(8-10)18-15(19)17-11-4-5-11/h3,6,8,11-12H,1-2,4-5,7,9H2,(H2,17,18,19)/t12-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea?
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea has a molecular weight of 294.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea is sourced from PubChem (CID 95334266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).