1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea

C22H27N3O4 — CID 166243047

IUPAC1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
SMILESO=C(NCc1ccncc1OCC1CCOC1)NC1CC(Oc2ccccc2)C1
InChIInChI=1S/C22H27N3O4/c26-22(25-18-10-20(11-18)29-19-4-2-1-3-5-19)24-12-17-6-8-23-13-21(17)28-15-16-7-9-27-14-16/h1-6,8,13,16,18,20H,7,9-12,14-15H2,(H2,24,25,26)
InChIKeyBAHIQBNDTIKAIH-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.91
Rot. Bonds8

About 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea

1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea (PubChem CID 166243047) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea.

Molecular Properties

Compound Name1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
PubChem CID166243047
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
SMILESO=C(NCc1ccncc1OCC1CCOC1)NC1CC(Oc2ccccc2)C1
InChIInChI=1S/C22H27N3O4/c26-22(25-18-10-20(11-18)29-19-4-2-1-3-5-19)24-12-17-6-8-23-13-21(17)28-15-16-7-9-27-14-16/h1-6,8,13,16,18,20H,7,9-12,14-15H2,(H2,24,25,26)
InChIKeyBAHIQBNDTIKAIH-UHFFFAOYSA-N
XLogP2.91
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea with MolForge

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Related Compounds

N-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166207649
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
CID 164627824
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
oxolan-3-ylmethyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186640
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250387
4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 42292182

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea?
The IUPAC name of 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea (CID 166243047) is 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea.
What is the SMILES notation for 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea?
The canonical SMILES for 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea is O=C(NCc1ccncc1OCC1CCOC1)NC1CC(Oc2ccccc2)C1.
What is the InChIKey of 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea?
The InChIKey is BAHIQBNDTIKAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-22(25-18-10-20(11-18)29-19-4-2-1-3-5-19)24-12-17-6-8-23-13-21(17)28-15-16-7-9-27-14-16/h1-6,8,13,16,18,20H,7,9-12,14-15H2,(H2,24,25,26).
What are the key properties of 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea?
1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea has a molecular weight of 397.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea is sourced from PubChem (CID 166243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).