2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C16H26N6O3 — CID 30890875

IUPAC2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H26N6O3/c1-4-5-17-16(24)18-13(23)10-21-6-8-22(9-7-21)11-14-19-15(12(2)3)20-25-14/h4,12H,1,5-11H2,2-3H3,(H2,17,18,23,24)
InChIKeyYWBRESLUJOXPQB-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.32
Rot. Bonds7

About 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 30890875) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID30890875
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1
InChIInChI=1S/C16H26N6O3/c1-4-5-17-16(24)18-13(23)10-21-6-8-22(9-7-21)11-14-19-15(12(2)3)20-25-14/h4,12H,1,5-11H2,2-3H3,(H2,17,18,23,24)
InChIKeyYWBRESLUJOXPQB-UHFFFAOYSA-N
XLogP0.32
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(3-methyl-2-buten-1-yl)-3-oxo-2-piperazinyl]acetamide
CID 56912594
1-((3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)methyl)piperazine dihydrochloride
CID 43810461
3-(2-{ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 132418493
1-{[3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 43235663
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 30890869
N,N-diethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 45815801
3-Tert-butyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43162335
(NZ)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide
CID 135733730
(NE)-N-[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazinan-2-ylidene]nitramide
CID 136022091
3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 170071924
6-Amino-1-butyl-5-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]pyrimidine-2,4-dione
CID 18275004
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 18282515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 30890875) is 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCN(Cc2nc(C(C)C)no2)CC1.
What is the InChIKey of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is YWBRESLUJOXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-4-5-17-16(24)18-13(23)10-21-6-8-22(9-7-21)11-14-19-15(12(2)3)20-25-14/h4,12H,1,5-11H2,2-3H3,(H2,17,18,23,24).
What are the key properties of 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 30890875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).