4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide

C12H22N4O2 — CID 79488575

IUPAC4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C12H22N4O2/c1-5-9(6-2)16(7-8(3)4)12(17)10-11(13)15-18-14-10/h8-9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyJZBFOCJMXXNJQS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 79488575) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
PubChem CID79488575
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1nonc1N
InChIInChI=1S/C12H22N4O2/c1-5-9(6-2)16(7-8(3)4)12(17)10-11(13)15-18-14-10/h8-9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyJZBFOCJMXXNJQS-UHFFFAOYSA-N
XLogP1.94
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Pyrrolidine-1-carbonyl)-1,2,5-oxadiazol-3-amine
CID 673949
(4-Amino-1,2,5-oxadiazol-3-yl)(piperidin-1-yl)methanone
CID 535637
4-amino-N-isobutyl-1,2,5-oxadiazole-3-carboxamide
CID 4417218
4-Amino-2-hydroxy(1,2,5-oxadiazol-3-yl) piperidyl ketone
CID 841662
4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687223
(4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 673953
(4-amino-2-hydroxy(1,2,5-oxadiazol-3-yl))-N,N-dimethylcarboxamide
CID 1268901
4-amino-N-butyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
CID 3140730
4-Amino-N-(Piperidin-4-Yl)-1,2,5-Oxadiazole-3-Carboxamide
CID 118796822
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 536746
N-[2-(Acetylamino)ethyl]-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 537871
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide (CID 79488575) is 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is JZBFOCJMXXNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-9(6-2)16(7-8(3)4)12(17)10-11(13)15-18-14-10/h8-9H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 79488575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).