1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea

C19H22N2O2S — CID 8022384

IUPAC1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
SMILESS=C(NC[C@H]1CCCO1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2S/c24-19(20-13-18-7-4-12-22-18)21-16-8-10-17(11-9-16)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,20,21,24)/t18-/m1/s1
InChIKeyOOHPJOHBJHVMFB-GOSISDBHSA-N
MW342.46 g/mol
LogP3.73
Rot. Bonds6

About 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea

1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea (PubChem CID 8022384) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
PubChem CID8022384
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
SMILESS=C(NC[C@H]1CCCO1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2S/c24-19(20-13-18-7-4-12-22-18)21-16-8-10-17(11-9-16)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,20,21,24)/t18-/m1/s1
InChIKeyOOHPJOHBJHVMFB-GOSISDBHSA-N
XLogP3.73
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2913013
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
1-(4-cyclopentyloxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 133179125
4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]benzoic acid
CID 1133426
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54836976
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
1-(oxolan-2-ylmethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077068
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
CID 51455340
N-(oxolan-2-ylmethyl)-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54821908
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea (CID 8022384) is 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea is S=C(NC[C@H]1CCCO1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea?
The InChIKey is OOHPJOHBJHVMFB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2S/c24-19(20-13-18-7-4-12-22-18)21-16-8-10-17(11-9-16)23-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H2,20,21,24)/t18-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea?
1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea has a molecular weight of 342.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 8022384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).