5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C16H19N5O2 — CID 130386259

IUPAC5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(c2ccncn2)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H19N5O2/c1-10-7-21(15-4-5-17-9-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,9-11,13H,2-3,7-8H2,1H3,(H,19,22)/t10-,13-/m0/s1
InChIKeyVXESMXSTNFBESB-GWCFXTLKSA-N
MW313.36 g/mol
LogP1.60
Rot. Bonds4

About 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 130386259) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID130386259
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@H]1CN(c2ccncn2)C[C@@H]1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H19N5O2/c1-10-7-21(15-4-5-17-9-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,9-11,13H,2-3,7-8H2,1H3,(H,19,22)/t10-,13-/m0/s1
InChIKeyVXESMXSTNFBESB-GWCFXTLKSA-N
XLogP1.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-cyclopropyl-N-[(3S,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395404
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395378
N-[(3S,4R)-1-(4-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395363
5-cyclopropyl-N-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395208
N-[(3S,4R)-1-(3-chlorophenyl)-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395362
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-[(3S,4S)-1-(2-hydroxyethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395340
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-(2-oxopropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 160897490
5-cyclopropyl-N-[(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395389
5-cyclopropyl-N-[(3S,4R)-1-(2-fluoroethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395322
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 130386259) is 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is C[C@H]1CN(c2ccncn2)C[C@@H]1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VXESMXSTNFBESB-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-7-21(15-4-5-17-9-18-15)8-13(10)19-16(22)12-6-14(23-20-12)11-2-3-11/h4-6,9-11,13H,2-3,7-8H2,1H3,(H,19,22)/t10-,13-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3R,4S)-4-methyl-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).