[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea

C14H19N5O3 — CID 95382626

IUPAC[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@@H]1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H19N5O3/c15-14(20)16-8-10-4-1-2-6-19(10)9-12-17-13(18-22-12)11-5-3-7-21-11/h3,5,7,10H,1-2,4,6,8-9H2,(H3,15,16,20)/t10-/m0/s1
InChIKeyQJZYLKOYRXNFNT-JTQLQIEISA-N
MW305.34 g/mol
LogP1.35
Rot. Bonds5

About [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea

[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea (PubChem CID 95382626) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
PubChem CID95382626
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@@H]1CCCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C14H19N5O3/c15-14(20)16-8-10-4-1-2-6-19(10)9-12-17-13(18-22-12)11-5-3-7-21-11/h3,5,7,10H,1-2,4,6,8-9H2,(H3,15,16,20)/t10-/m0/s1
InChIKeyQJZYLKOYRXNFNT-JTQLQIEISA-N
XLogP1.35
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea with MolForge

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Related Compounds

1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
4-[2-[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95718058
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95305735
2-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholin-3-yl]acetic acid
CID 66442973
3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569796

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea (CID 95382626) is [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea is NC(=O)NC[C@@H]1CCCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea?
The InChIKey is QJZYLKOYRXNFNT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O3/c15-14(20)16-8-10-4-1-2-6-19(10)9-12-17-13(18-22-12)11-5-3-7-21-11/h3,5,7,10H,1-2,4,6,8-9H2,(H3,15,16,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea?
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea has a molecular weight of 305.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 95382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).