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

C14H17N7O4 — CID 134358085

IUPACN-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H17N7O4/c15-11(22)7-9(18-14(23)21-3-5-24-6-4-21)12-19-20-13(25-12)10-8-16-1-2-17-10/h1-2,8-9H,3-7H2,(H2,15,22)(H,18,23)/t9-/m0/s1
InChIKeyQIHZMCQSOUFXCW-VIFPVBQESA-N
MW347.34 g/mol
LogP-0.52
Rot. Bonds5

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

N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide (PubChem CID 134358085) has the molecular formula C14H17N7O4 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide
PubChem CID134358085
Molecular FormulaC14H17N7O4
Molecular Weight347.34 g/mol
Exact Mass347.13
IUPAC NameN-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H17N7O4/c15-11(22)7-9(18-14(23)21-3-5-24-6-4-21)12-19-20-13(25-12)10-8-16-1-2-17-10/h1-2,8-9H,3-7H2,(H2,15,22)(H,18,23)/t9-/m0/s1
InChIKeyQIHZMCQSOUFXCW-VIFPVBQESA-N
XLogP-0.52
TPSA149.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide (CID 134358085) is N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide is NC(=O)C[C@H](NC(=O)N1CCOCC1)c1nnc(-c2cnccn2)o1.
What is the InChIKey of N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide?
The InChIKey is QIHZMCQSOUFXCW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N7O4/c15-11(22)7-9(18-14(23)21-3-5-24-6-4-21)12-19-20-13(25-12)10-8-16-1-2-17-10/h1-2,8-9H,3-7H2,(H2,15,22)(H,18,23)/t9-/m0/s1.
What are the key properties of N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide?
N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-3-oxo-1-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 134358085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).