2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

C12H18FN3O2 — CID 70716391

IUPAC2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2)o1
InChIInChI=1S/C12H18FN3O2/c1-3-10-16-7(2)11(18-10)12(17)15-6-9-4-8(13)5-14-9/h8-9,14H,3-6H2,1-2H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyXOCWIQBHCIWNSD-IUCAKERBSA-N
MW255.29 g/mol
LogP0.98
Rot. Bonds4

About 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 70716391) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID70716391
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2)o1
InChIInChI=1S/C12H18FN3O2/c1-3-10-16-7(2)11(18-10)12(17)15-6-9-4-8(13)5-14-9/h8-9,14H,3-6H2,1-2H3,(H,15,17)/t8-,9-/m0/s1
InChIKeyXOCWIQBHCIWNSD-IUCAKERBSA-N
XLogP0.98
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 71667510
N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97410648
N-cyclopentyl-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249142
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
(4S)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N-ethyl-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 74230533

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 70716391) is 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2)o1.
What is the InChIKey of 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is XOCWIQBHCIWNSD-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-3-10-16-7(2)11(18-10)12(17)15-6-9-4-8(13)5-14-9/h8-9,14H,3-6H2,1-2H3,(H,15,17)/t8-,9-/m0/s1.
What are the key properties of 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 70716391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).