(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide

C14H15N7O4 — CID 134358210

IUPAC(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/t7-,8-/m0/s1
InChIKeyBHILIUDVOCWHJT-YUMQZZPRSA-N
MW345.32 g/mol
LogP-1.16
Rot. Bonds6

About (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 134358210) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID134358210
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/t7-,8-/m0/s1
InChIKeyBHILIUDVOCWHJT-YUMQZZPRSA-N
XLogP-1.16
TPSA165.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 134358210) is (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide is NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nnc(-c2cnccn2)o1.
What is the InChIKey of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is BHILIUDVOCWHJT-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H15N7O4/c15-10(22)5-8(19-12(24)7-1-2-11(23)18-7)13-20-21-14(25-13)9-6-16-3-4-17-9/h3-4,6-8H,1-2,5H2,(H2,15,22)(H,18,23)(H,19,24)/t7-,8-/m0/s1.
What are the key properties of (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 345.32 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 134358210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).