1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea

C20H25N3O3 — CID 125160536

IUPAC1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
SMILESCCCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C20H25N3O3/c1-2-12-23(15-17-8-6-13-25-17)20(24)22-18-9-3-4-10-19(18)26-16-7-5-11-21-14-16/h3-5,7,9-11,14,17H,2,6,8,12-13,15H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyQUJIEQHPROZTAG-KRWDZBQOSA-N
MW355.44 g/mol
LogP4.30
Rot. Bonds7

About 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea

1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea (PubChem CID 125160536) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
PubChem CID125160536
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea
SMILESCCCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C20H25N3O3/c1-2-12-23(15-17-8-6-13-25-17)20(24)22-18-9-3-4-10-19(18)26-16-7-5-11-21-14-16/h3-5,7,9-11,14,17H,2,6,8,12-13,15H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyQUJIEQHPROZTAG-KRWDZBQOSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea with MolForge

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Related Compounds

4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
CID 97282057
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 41430702
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 28815482
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
CID 91841175
1-(2-methoxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-3-(2-phenylphenyl)urea
CID 97454548
3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
CID 86799962
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea (CID 125160536) is 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea is CCCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1Oc1cccnc1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea?
The InChIKey is QUJIEQHPROZTAG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-12-23(15-17-8-6-13-25-17)20(24)22-18-9-3-4-10-19(18)26-16-7-5-11-21-14-16/h3-5,7,9-11,14,17H,2,6,8,12-13,15H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea?
1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea has a molecular weight of 355.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyl]-1-propyl-3-(2-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 125160536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).