5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C14H20FN3O2 — CID 130395322

IUPAC5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(CCF)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H20FN3O2/c1-9-7-18(5-4-15)8-12(9)16-14(19)11-6-13(20-17-11)10-2-3-10/h6,9-10,12H,2-5,7-8H2,1H3,(H,16,19)/t9-,12-/m1/s1
InChIKeyAHEUPLQECDQNOH-BXKDBHETSA-N
MW281.33 g/mol
LogP1.57
Rot. Bonds5

About 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395322) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395322
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(CCF)C[C@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C14H20FN3O2/c1-9-7-18(5-4-15)8-12(9)16-14(19)11-6-13(20-17-11)10-2-3-10/h6,9-10,12H,2-5,7-8H2,1H3,(H,16,19)/t9-,12-/m1/s1
InChIKeyAHEUPLQECDQNOH-BXKDBHETSA-N
XLogP1.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

Cym-5541
CID 17253208
N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 132242493
5-cyclopropyl-N-(1-methanesulfonylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 45808906
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5309153
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
N-[1-(2-Chloroacetyl)-4-piperidinyl]-5-cyclopropyl-3-isoxazolecarboxamide
CID 118949515
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 5307969
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
N,N-dicyclohexyl-5-isopropyl-3-isoxazolecarboxamide
CID 17253281

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395322) is 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CN(CCF)C[C@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AHEUPLQECDQNOH-BXKDBHETSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-7-18(5-4-15)8-12(9)16-14(19)11-6-13(20-17-11)10-2-3-10/h6,9-10,12H,2-5,7-8H2,1H3,(H,16,19)/t9-,12-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).