N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide

C13H13N3O2 — CID 53143043

IUPACN-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2cccnc2)no1)C1CCC1
InChIInChI=1S/C13H13N3O2/c17-13(9-3-1-4-9)15-12-7-11(16-18-12)10-5-2-6-14-8-10/h2,5-9H,1,3-4H2,(H,15,17)
InChIKeyUFEPEKKMVWRBSG-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.48
Rot. Bonds3

About N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide

N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide (PubChem CID 53143043) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide
PubChem CID53143043
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide
SMILESO=C(Nc1cc(-c2cccnc2)no1)C1CCC1
InChIInChI=1S/C13H13N3O2/c17-13(9-3-1-4-9)15-12-7-11(16-18-12)10-5-2-6-14-8-10/h2,5-9H,1,3-4H2,(H,15,17)
InChIKeyUFEPEKKMVWRBSG-UHFFFAOYSA-N
XLogP2.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11993865
CID 11993865
CID 3236515
CID 3236515
CID 2806085
CID 2806085
CID 58659496
CID 58659496
CID 118706305
CID 118706305
CID 118706306
CID 118706306
CID 1122041
CID 1122041
CID 118706307
CID 118706307
CID 137655215
CID 137655215
CID 6460006
CID 6460006
CID 118706303
CID 118706303
CID 12717854
CID 12717854

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide?
The IUPAC name of N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide (CID 53143043) is N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide is O=C(Nc1cc(-c2cccnc2)no1)C1CCC1.
What is the InChIKey of N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide?
The InChIKey is UFEPEKKMVWRBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(9-3-1-4-9)15-12-7-11(16-18-12)10-5-2-6-14-8-10/h2,5-9H,1,3-4H2,(H,15,17).
What are the key properties of N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide?
N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-yl-1,2-oxazol-5-yl)cyclobutanecarboxamide is sourced from PubChem (CID 53143043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).