(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide

C14H24N4O2 — CID 56700703

IUPAC(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1coc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-4-16-13(19)12-5-10(15)6-18(12)7-11-8-20-14(17-11)9(2)3/h8-10,12H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyKFEVIPCJZVSTDM-PWSUYJOCSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds5

About (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56700703) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID56700703
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1coc(C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-4-16-13(19)12-5-10(15)6-18(12)7-11-8-20-14(17-11)9(2)3/h8-10,12H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyKFEVIPCJZVSTDM-PWSUYJOCSA-N
XLogP0.84
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 91838505
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70756398
(2S,4S)-4-amino-N-ethyl-1-[[2-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 56713290
(2S,4S)-4-amino-N-ethyl-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56716883
(2S,4S)-4-amino-1-(2,3-dimethylquinoxaline-6-carbonyl)-N-ethylpyrrolidine-2-carboxamide
CID 56721566
(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 125444998
(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 56703341
(2S,4S)-4-amino-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56720115
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572
(2S,4S)-4-amino-N-ethyl-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 70764212
4-(piperidin-4-ylmethyl)-2-propan-2-yl-1,3-oxazole
CID 84734262

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 56700703) is (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1coc(C(C)C)n1.
What is the InChIKey of (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KFEVIPCJZVSTDM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-16-13(19)12-5-10(15)6-18(12)7-11-8-20-14(17-11)9(2)3/h8-10,12H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-ethyl-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56700703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).