1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea

C20H26N4O3 — CID 171824773

IUPAC1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea
SMILESO=C(NCc1cnco1)Nc1ccc(CC2CCN(C3COC3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c25-20(22-11-19-10-21-14-27-19)23-17-3-1-15(2-4-17)9-16-5-7-24(8-6-16)18-12-26-13-18/h1-4,10,14,16,18H,5-9,11-13H2,(H2,22,23,25)
InChIKeyZJSJCQSZOMDLHK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.65
Rot. Bonds6

About 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea

1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea (PubChem CID 171824773) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea
PubChem CID171824773
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea
SMILESO=C(NCc1cnco1)Nc1ccc(CC2CCN(C3COC3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c25-20(22-11-19-10-21-14-27-19)23-17-3-1-15(2-4-17)9-16-5-7-24(8-6-16)18-12-26-13-18/h1-4,10,14,16,18H,5-9,11-13H2,(H2,22,23,25)
InChIKeyZJSJCQSZOMDLHK-UHFFFAOYSA-N
XLogP2.65
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea with MolForge

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Related Compounds

1,3-oxazol-5-ylmethyl N-[4-[[1-(dimethylaminosulfanyl)piperidin-4-yl]methyl]phenyl]carbamate
CID 171824226
1,3-oxazol-5-ylmethyl N-[4-[[8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]phenyl]carbamate
CID 171824484
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfanyl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231359
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231204
1-[4-[(5-methyl-2-pyridinyl)sulfonyl]phenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 142402048
1-[4-(3,4-difluorophenyl)sulfanylphenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231588
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
(3R)-1-(1,3-oxazole-5-carbonyl)-N-[4-[4-[[(3S)-1-(1,3-oxazole-5-carbonyl)pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide
CID 51036865
tert-butyl 4-[[4-(methylcarbamoylamino)phenyl]methyl]piperidine-1-carboxylate
CID 139989028
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea?
The IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea (CID 171824773) is 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea.
What is the SMILES notation for 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea?
The canonical SMILES for 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea is O=C(NCc1cnco1)Nc1ccc(CC2CCN(C3COC3)CC2)cc1.
What is the InChIKey of 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea?
The InChIKey is ZJSJCQSZOMDLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(22-11-19-10-21-14-27-19)23-17-3-1-15(2-4-17)9-16-5-7-24(8-6-16)18-12-26-13-18/h1-4,10,14,16,18H,5-9,11-13H2,(H2,22,23,25).
What are the key properties of 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea?
1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea has a molecular weight of 370.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-ylmethyl)-3-[4-[[1-(oxetan-3-yl)piperidin-4-yl]methyl]phenyl]urea is sourced from PubChem (CID 171824773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).