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

C18H21N3O2 — CID 166181225

IUPAC1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(20-16-7-4-9-19-12-16)21-17(11-14-8-10-23-13-14)15-5-2-1-3-6-15/h1-7,9,12,14,17H,8,10-11,13H2,(H2,20,21,22)
InChIKeyGFMNLSIHRCVIPU-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.37
Rot. Bonds5

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

1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea (PubChem CID 166181225) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
PubChem CID166181225
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-18(20-16-7-4-9-19-12-16)21-17(11-14-8-10-23-13-14)15-5-2-1-3-6-15/h1-7,9,12,14,17H,8,10-11,13H2,(H2,20,21,22)
InChIKeyGFMNLSIHRCVIPU-UHFFFAOYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146102321
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
(3S)-3-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]pyrrolidin-2-one
CID 124829415
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea (CID 166181225) is 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC(CC1CCOC1)c1ccccc1.
What is the InChIKey of 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea?
The InChIKey is GFMNLSIHRCVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(20-16-7-4-9-19-12-16)21-17(11-14-8-10-23-13-14)15-5-2-1-3-6-15/h1-7,9,12,14,17H,8,10-11,13H2,(H2,20,21,22).
What are the key properties of 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea?
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea has a molecular weight of 311.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 166181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).