1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea

C17H18FN3O2 — CID 94667001

IUPAC1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C17H18FN3O2/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-2,5-10,14,16H,3-4,11H2,(H2,19,20,21,22)/t14-,16-/m0/s1
InChIKeyFGVQWNPJBJAOOF-HOCLYGCPSA-N
MW315.35 g/mol
LogP3.26
Rot. Bonds4

About 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea

1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea (PubChem CID 94667001) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
PubChem CID94667001
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C17H18FN3O2/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-2,5-10,14,16H,3-4,11H2,(H2,19,20,21,22)/t14-,16-/m0/s1
InChIKeyFGVQWNPJBJAOOF-HOCLYGCPSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75479772
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94666661
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea (CID 94667001) is 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea?
The InChIKey is FGVQWNPJBJAOOF-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-2,5-10,14,16H,3-4,11H2,(H2,19,20,21,22)/t14-,16-/m0/s1.
What are the key properties of 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea?
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea has a molecular weight of 315.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94667001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).