1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea

C16H16ClN3O2 — CID 75399805

IUPAC1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCOC1c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)19-16(21)20-14-3-1-2-9-18-14/h1-7,9,13,15H,8,10H2,(H2,18,19,20,21)
InChIKeyQTKPUGRFXVKPJC-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.39
Rot. Bonds3

About 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea

1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea (PubChem CID 75399805) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
PubChem CID75399805
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)NC1CCOC1c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)19-16(21)20-14-3-1-2-9-18-14/h1-7,9,13,15H,8,10H2,(H2,18,19,20,21)
InChIKeyQTKPUGRFXVKPJC-UHFFFAOYSA-N
XLogP3.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
1-(4-chloro-1,1-dioxothiolan-3-yl)-3-pyridin-2-ylurea
CID 102566807
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
CID 122054738
4-(4-chlorophenyl)-6-methyl-2-oxo-N-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23935403
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-oxan-2-yl]oxyurea
CID 99717936
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea (CID 75399805) is 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)NC1CCOC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea?
The InChIKey is QTKPUGRFXVKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)15-13(8-10-22-15)19-16(21)20-14-3-1-2-9-18-14/h1-7,9,13,15H,8,10H2,(H2,18,19,20,21).
What are the key properties of 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea?
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea has a molecular weight of 317.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea is sourced from PubChem (CID 75399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).