6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C17H18N4O4 — CID 146464367

IUPAC6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(NCCC1C2CN(C(=O)O)CC12)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H18N4O4/c22-16(14-6-15(25-20-14)10-2-1-4-18-7-10)19-5-3-11-12-8-21(17(23)24)9-13(11)12/h1-2,4,6-7,11-13H,3,5,8-9H2,(H,19,22)(H,23,24)
InChIKeyDMPNNTIRBBMJLV-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.71
Rot. Bonds5

About 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 146464367) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID146464367
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESO=C(NCCC1C2CN(C(=O)O)CC12)c1cc(-c2cccnc2)on1
InChIInChI=1S/C17H18N4O4/c22-16(14-6-15(25-20-14)10-2-1-4-18-7-10)19-5-3-11-12-8-21(17(23)24)9-13(11)12/h1-2,4,6-7,11-13H,3,5,8-9H2,(H,19,22)(H,23,24)
InChIKeyDMPNNTIRBBMJLV-UHFFFAOYSA-N
XLogP1.71
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 146464367) is 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is O=C(NCCC1C2CN(C(=O)O)CC12)c1cc(-c2cccnc2)on1.
What is the InChIKey of 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is DMPNNTIRBBMJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16(14-6-15(25-20-14)10-2-1-4-18-7-10)19-5-3-11-12-8-21(17(23)24)9-13(11)12/h1-2,4,6-7,11-13H,3,5,8-9H2,(H,19,22)(H,23,24).
What are the key properties of 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 146464367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).