N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C19H23N5O4 — CID 136577578

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)N2CCN(C(=O)C3CCCO3)CC2)no1
InChIInChI=1S/C19H23N5O4/c1-13-20-17(22-28-13)14-5-2-3-6-15(14)21-19(26)24-10-8-23(9-11-24)18(25)16-7-4-12-27-16/h2-3,5-6,16H,4,7-12H2,1H3,(H,21,26)
InChIKeyHMUPFERHSYMEAI-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 136577578) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID136577578
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)N2CCN(C(=O)C3CCCO3)CC2)no1
InChIInChI=1S/C19H23N5O4/c1-13-20-17(22-28-13)14-5-2-3-6-15(14)21-19(26)24-10-8-23(9-11-24)18(25)16-7-4-12-27-16/h2-3,5-6,16H,4,7-12H2,1H3,(H,21,26)
InChIKeyHMUPFERHSYMEAI-UHFFFAOYSA-N
XLogP1.90
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 55765938
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47033961
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
1-(benzenesulfonyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide
CID 55765498
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
CID 2025294
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 136577578) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is Cc1nc(-c2ccccc2NC(=O)N2CCN(C(=O)C3CCCO3)CC2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is HMUPFERHSYMEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-20-17(22-28-13)14-5-2-3-6-15(14)21-19(26)24-10-8-23(9-11-24)18(25)16-7-4-12-27-16/h2-3,5-6,16H,4,7-12H2,1H3,(H,21,26).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 136577578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).