(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C15H25N3O2 — CID 92732734

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CC
InChIInChI=1S/C15H25N3O2/c1-5-10(3)16-15(19)18-9-7-8-12(18)14-11(4)17-20-13(14)6-2/h10,12H,5-9H2,1-4H3,(H,16,19)/t10-,12-/m1/s1
InChIKeyQXKWVLDMGORCET-ZYHUDNBSSA-N
MW279.38 g/mol
LogP3.19
Rot. Bonds4

About (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 92732734) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID92732734
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CC
InChIInChI=1S/C15H25N3O2/c1-5-10(3)16-15(19)18-9-7-8-12(18)14-11(4)17-20-13(14)6-2/h10,12H,5-9H2,1-4H3,(H,16,19)/t10-,12-/m1/s1
InChIKeyQXKWVLDMGORCET-ZYHUDNBSSA-N
XLogP3.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]propanoate
CID 92894389
methyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894383
ethyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894354
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
N-(4-bromophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808695
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 50809164
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894338
(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 92878286
[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 50809106
N-(4-bromo-2-fluorophenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808694
(2R)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 92894306

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 92732734) is (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is CCc1onc(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CC.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is QXKWVLDMGORCET-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-10(3)16-15(19)18-9-7-8-12(18)14-11(4)17-20-13(14)6-2/h10,12H,5-9H2,1-4H3,(H,16,19)/t10-,12-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
(2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 92732734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).