1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea

C19H27N5O3 — CID 97444839

IUPAC1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
SMILESCOCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n1
InChIInChI=1S/C19H27N5O3/c1-14-6-3-4-9-24(14)12-15-7-5-8-16(10-15)21-19(25)20-11-18-22-17(13-26-2)23-27-18/h5,7-8,10,14H,3-4,6,9,11-13H2,1-2H3,(H2,20,21,25)/t14-/m0/s1
InChIKeyAZMCAIMSSAVTOJ-AWEZNQCLSA-N
MW373.46 g/mol
LogP2.91
Rot. Bonds7

About 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea

1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea (PubChem CID 97444839) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
PubChem CID97444839
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
SMILESCOCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n1
InChIInChI=1S/C19H27N5O3/c1-14-6-3-4-9-24(14)12-15-7-5-8-16(10-15)21-19(25)20-11-18-22-17(13-26-2)23-27-18/h5,7-8,10,14H,3-4,6,9,11-13H2,1-2H3,(H2,20,21,25)/t14-/m0/s1
InChIKeyAZMCAIMSSAVTOJ-AWEZNQCLSA-N
XLogP2.91
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094
1-(1H-indol-4-ylmethyl)-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125157393
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125179187
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 72866993
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
CID 118788592
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 55868982
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 92628426
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The IUPAC name of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea (CID 97444839) is 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea.
What is the SMILES notation for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The canonical SMILES for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea is COCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n1.
What is the InChIKey of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The InChIKey is AZMCAIMSSAVTOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-14-6-3-4-9-24(14)12-15-7-5-8-16(10-15)21-19(25)20-11-18-22-17(13-26-2)23-27-18/h5,7-8,10,14H,3-4,6,9,11-13H2,1-2H3,(H2,20,21,25)/t14-/m0/s1.
What are the key properties of 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea has a molecular weight of 373.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea is sourced from PubChem (CID 97444839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).