2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide

C12H18N4O3 — CID 131961498

IUPAC2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1[C@H](C(=O)NCc2nc(C(N)=O)co2)CCN1C
InChIInChI=1S/C12H18N4O3/c1-7-8(3-4-16(7)2)12(18)14-5-10-15-9(6-19-10)11(13)17/h6-8H,3-5H2,1-2H3,(H2,13,17)(H,14,18)/t7-,8-/m1/s1
InChIKeyWKWRIUQEFFNPCJ-HTQZYQBOSA-N
MW266.30 g/mol
LogP-0.27
Rot. Bonds4

About 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide

2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 131961498) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID131961498
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H]1[C@H](C(=O)NCc2nc(C(N)=O)co2)CCN1C
InChIInChI=1S/C12H18N4O3/c1-7-8(3-4-16(7)2)12(18)14-5-10-15-9(6-19-10)11(13)17/h6-8H,3-5H2,1-2H3,(H2,13,17)(H,14,18)/t7-,8-/m1/s1
InChIKeyWKWRIUQEFFNPCJ-HTQZYQBOSA-N
XLogP-0.27
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 131961498) is 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide is C[C@@H]1[C@H](C(=O)NCc2nc(C(N)=O)co2)CCN1C.
What is the InChIKey of 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WKWRIUQEFFNPCJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-8(3-4-16(7)2)12(18)14-5-10-15-9(6-19-10)11(13)17/h6-8H,3-5H2,1-2H3,(H2,13,17)(H,14,18)/t7-,8-/m1/s1.
What are the key properties of 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide?
2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R,3R)-1,2-dimethylpyrrolidine-3-carbonyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131961498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).