N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C13H18FN3O2 — CID 171334002

IUPACN-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cc(CN2CCC(F)(C(=O)NC3CC3)C2)on1
InChIInChI=1S/C13H18FN3O2/c1-9-6-11(19-16-9)7-17-5-4-13(14,8-17)12(18)15-10-2-3-10/h6,10H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyNDLPYXSFJDSFGF-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.18
Rot. Bonds4

About N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 171334002) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID171334002
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cc(CN2CCC(F)(C(=O)NC3CC3)C2)on1
InChIInChI=1S/C13H18FN3O2/c1-9-6-11(19-16-9)7-17-5-4-13(14,8-17)12(18)15-10-2-3-10/h6,10H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyNDLPYXSFJDSFGF-UHFFFAOYSA-N
XLogP1.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 171334002) is N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is Cc1cc(CN2CCC(F)(C(=O)NC3CC3)C2)on1.
What is the InChIKey of N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NDLPYXSFJDSFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-6-11(19-16-9)7-17-5-4-13(14,8-17)12(18)15-10-2-3-10/h6,10H,2-5,7-8H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).