1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide

C13H12FN3O2 — CID 169262819

IUPAC1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide
SMILESCc1nccc(-c2cc(C3(C(N)=O)CC3)on2)c1F
InChIInChI=1S/C13H12FN3O2/c1-7-11(14)8(2-5-16-7)9-6-10(19-17-9)13(3-4-13)12(15)18/h2,5-6H,3-4H2,1H3,(H2,15,18)
InChIKeyPBCLQPRWSDUPIE-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.70
Rot. Bonds3

About 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide

1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide (PubChem CID 169262819) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide
PubChem CID169262819
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide
SMILESCc1nccc(-c2cc(C3(C(N)=O)CC3)on2)c1F
InChIInChI=1S/C13H12FN3O2/c1-7-11(14)8(2-5-16-7)9-6-10(19-17-9)13(3-4-13)12(15)18/h2,5-6H,3-4H2,1H3,(H2,15,18)
InChIKeyPBCLQPRWSDUPIE-UHFFFAOYSA-N
XLogP1.70
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide (CID 169262819) is 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide is Cc1nccc(-c2cc(C3(C(N)=O)CC3)on2)c1F.
What is the InChIKey of 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide?
The InChIKey is PBCLQPRWSDUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-11(14)8(2-5-16-7)9-6-10(19-17-9)13(3-4-13)12(15)18/h2,5-6H,3-4H2,1H3,(H2,15,18).
What are the key properties of 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide?
1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169262819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).