5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C14H21F2N3O2 — CID 130395401

IUPAC5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(CC(F)F)on2)C1
InChIInChI=1S/C14H21F2N3O2/c1-8(2)19-6-9(3)12(7-19)17-14(20)11-4-10(21-18-11)5-13(15)16/h4,8-9,12-13H,5-7H2,1-3H3,(H,17,20)/t9-,12+/m0/s1
InChIKeyVOHXEAZGXFAKRZ-JOYOIKCWSA-N
MW301.34 g/mol
LogP1.94
Rot. Bonds5

About 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130395401) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130395401
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(CC(F)F)on2)C1
InChIInChI=1S/C14H21F2N3O2/c1-8(2)19-6-9(3)12(7-19)17-14(20)11-4-10(21-18-11)5-13(15)16/h4,8-9,12-13H,5-7H2,1-3H3,(H,17,20)/t9-,12+/m0/s1
InChIKeyVOHXEAZGXFAKRZ-JOYOIKCWSA-N
XLogP1.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386740
5-(azetidin-3-yl)-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386630
2-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 130375891
5-cyclopropyl-N-[(3S,4R)-1-(3,3-difluorobutan-2-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 159011022
2,2-difluoro-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 130365414
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-5-propan-2-ylpyridazine-3-carboxamide
CID 130375933
6-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365347
1-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)triazole-4-carboxamide
CID 130365391
5-cyclopropyl-N-[(3S,4R)-4-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 157394551
5-cyclobutyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)pyridazine-3-carboxamide
CID 130365382
N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-4-propan-2-yl-1,3-oxazole-2-carboxamide
CID 146364145
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130395401) is 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(CC(F)F)on2)C1.
What is the InChIKey of 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VOHXEAZGXFAKRZ-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-8(2)19-6-9(3)12(7-19)17-14(20)11-4-10(21-18-11)5-13(15)16/h4,8-9,12-13H,5-7H2,1-3H3,(H,17,20)/t9-,12+/m0/s1.
What are the key properties of 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130395401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).