3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea

C18H19F2N3O2 — CID 97259063

IUPAC3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCN(Cc1ccncc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-23(11-12-4-7-21-8-5-12)18(24)22-16-6-9-25-17(16)13-2-3-14(19)15(20)10-13/h2-5,7-8,10,16-17H,6,9,11H2,1H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyRKVUXWDOIIOTFZ-IAGOWNOFSA-N
MW347.37 g/mol
LogP3.03
Rot. Bonds4

About 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea

3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 97259063) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID97259063
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCN(Cc1ccncc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2N3O2/c1-23(11-12-4-7-21-8-5-12)18(24)22-16-6-9-25-17(16)13-2-3-14(19)15(20)10-13/h2-5,7-8,10,16-17H,6,9,11H2,1H3,(H,22,24)/t16-,17-/m1/s1
InChIKeyRKVUXWDOIIOTFZ-IAGOWNOFSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 97335969
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
CID 97109107
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
3-amino-N-[2-(3,4-difluorophenyl)oxolan-3-yl]butanamide
CID 120874088
N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-2-methyl-3-methylsulfanylpropanamide
CID 139021702
3-[2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552164
1-(2-cyclopropylethyl)-3-[2-(3,4-difluorophenyl)oxolan-3-yl]urea
CID 75444523
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
2-(cyanomethylsulfanyl)-N-[(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]acetamide
CID 139021696
2-[[3-[[2-(3,4-difluorophenyl)oxolan-3-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122009090
3-[2-(5-cyclopropyl-3-pyridinyl)oxolan-3-yl]-1-methyl-1-[(1S)-1-pyridin-4-ylethyl]urea
CID 176670506
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea (CID 97259063) is 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea is CN(Cc1ccncc1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is RKVUXWDOIIOTFZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-23(11-12-4-7-21-8-5-12)18(24)22-16-6-9-25-17(16)13-2-3-14(19)15(20)10-13/h2-5,7-8,10,16-17H,6,9,11H2,1H3,(H,22,24)/t16-,17-/m1/s1.
What are the key properties of 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 347.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 97259063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).