2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide

C18H31N5O3 — CID 163344677

IUPAC2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(Cc2noc(C3CCOCC3)n2)CC1
InChIInChI=1S/C18H31N5O3/c1-13(2)19-17(24)14(3)23-8-6-22(7-9-23)12-16-20-18(26-21-16)15-4-10-25-11-5-15/h13-15H,4-12H2,1-3H3,(H,19,24)
InChIKeyNPRKSJQBDVETHE-UHFFFAOYSA-N
MW365.48 g/mol
LogP0.99
Rot. Bonds6

About 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 163344677) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID163344677
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(Cc2noc(C3CCOCC3)n2)CC1
InChIInChI=1S/C18H31N5O3/c1-13(2)19-17(24)14(3)23-8-6-22(7-9-23)12-16-20-18(26-21-16)15-4-10-25-11-5-15/h13-15H,4-12H2,1-3H3,(H,19,24)
InChIKeyNPRKSJQBDVETHE-UHFFFAOYSA-N
XLogP0.99
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
(2S)-N-cyclopropyl-2-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propanamide
CID 95308501
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
3-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942255
5-cyclopropyl-3-[[4-[1-(2-fluorophenyl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 167959661
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801
2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077226
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
(4,4-difluoropiperidin-1-yl)-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholin-2-yl]methanone
CID 163348121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide (CID 163344677) is 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCN(Cc2noc(C3CCOCC3)n2)CC1.
What is the InChIKey of 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is NPRKSJQBDVETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-13(2)19-17(24)14(3)23-8-6-22(7-9-23)12-16-20-18(26-21-16)15-4-10-25-11-5-15/h13-15H,4-12H2,1-3H3,(H,19,24).
What are the key properties of 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 163344677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).