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

C20H29N5O2 — CID 97452094

IUPAC1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
SMILESCCc1nc(CCNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)no1
InChIInChI=1S/C20H29N5O2/c1-3-19-23-18(24-27-19)10-11-21-20(26)22-17-9-6-8-16(13-17)14-25-12-5-4-7-15(25)2/h6,8-9,13,15H,3-5,7,10-12,14H2,1-2H3,(H2,21,22,26)/t15-/m0/s1
InChIKeyBRGZHYCYDHKWME-HNNXBMFYSA-N
MW371.49 g/mol
LogP3.37
Rot. Bonds7

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

1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea (PubChem CID 97452094) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
PubChem CID97452094
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
SMILESCCc1nc(CCNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)no1
InChIInChI=1S/C20H29N5O2/c1-3-19-23-18(24-27-19)10-11-21-20(26)22-17-9-6-8-16(13-17)14-25-12-5-4-7-15(25)2/h6,8-9,13,15H,3-5,7,10-12,14H2,1-2H3,(H2,21,22,26)/t15-/m0/s1
InChIKeyBRGZHYCYDHKWME-HNNXBMFYSA-N
XLogP3.37
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97444839
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
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 55868982
1-(1H-indol-4-ylmethyl)-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125157393
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 92628426
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 72848016
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The IUPAC name of 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea (CID 97452094) is 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The canonical SMILES for 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea is CCc1nc(CCNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)no1.
What is the InChIKey of 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
The InChIKey is BRGZHYCYDHKWME-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-19-23-18(24-27-19)10-11-21-20(26)22-17-9-6-8-16(13-17)14-25-12-5-4-7-15(25)2/h6,8-9,13,15H,3-5,7,10-12,14H2,1-2H3,(H2,21,22,26)/t15-/m0/s1.
What are the key properties of 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea?
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea has a molecular weight of 371.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea is sourced from PubChem (CID 97452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).