(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H23N5O2 — CID 125157739

IUPAC(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)n1
InChIInChI=1S/C18H23N5O2/c1-2-16-20-17(25-21-16)13-5-7-14(8-6-13)19-18(24)23-11-10-22-9-3-4-15(22)12-23/h5-8,15H,2-4,9-12H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyUZGHGSSJTFDLHF-HNNXBMFYSA-N
MW341.42 g/mol
LogP2.61
Rot. Bonds3

About (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 125157739) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID125157739
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)n1
InChIInChI=1S/C18H23N5O2/c1-2-16-20-17(25-21-16)13-5-7-14(8-6-13)19-18(24)23-11-10-22-9-3-4-15(22)12-23/h5-8,15H,2-4,9-12H2,1H3,(H,19,24)/t15-/m0/s1
InChIKeyUZGHGSSJTFDLHF-HNNXBMFYSA-N
XLogP2.61
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 156607915
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125177080
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 126793079
(9aS)-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438869
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441
N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 52865743
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073

Frequently Asked Questions

What is the IUPAC name of (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 125157739) is (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCc1noc(-c2ccc(NC(=O)N3CCN4CCC[C@H]4C3)cc2)n1.
What is the InChIKey of (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UZGHGSSJTFDLHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-16-20-17(25-21-16)13-5-7-14(8-6-13)19-18(24)23-11-10-22-9-3-4-15(22)12-23/h5-8,15H,2-4,9-12H2,1H3,(H,19,24)/t15-/m0/s1.
What are the key properties of (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 125157739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).