(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide

C19H28N4O4 — CID 72918152

IUPAC(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cc1c(C)noc1C
InChIInChI=1S/C19H28N4O4/c1-4-20-19(26)16-8-14(21-18(25)13-6-5-7-13)10-23(16)17(24)9-15-11(2)22-27-12(15)3/h13-14,16H,4-10H2,1-3H3,(H,20,26)(H,21,25)/t14-,16-/m0/s1
InChIKeyJJSXIIQWOSYYMW-HOCLYGCPSA-N
MW376.46 g/mol
LogP0.86
Rot. Bonds6

About (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 72918152) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID72918152
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cc1c(C)noc1C
InChIInChI=1S/C19H28N4O4/c1-4-20-19(26)16-8-14(21-18(25)13-6-5-7-13)10-23(16)17(24)9-15-11(2)22-27-12(15)3/h13-14,16H,4-10H2,1-3H3,(H,20,26)(H,21,25)/t14-,16-/m0/s1
InChIKeyJJSXIIQWOSYYMW-HOCLYGCPSA-N
XLogP0.86
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 74245482
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 72854385
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
N-cyclopropyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86924416
N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86857649
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 156606944
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide (CID 72918152) is (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1C(=O)Cc1c(C)noc1C.
What is the InChIKey of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is JJSXIIQWOSYYMW-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-4-20-19(26)16-8-14(21-18(25)13-6-5-7-13)10-23(16)17(24)9-15-11(2)22-27-12(15)3/h13-14,16H,4-10H2,1-3H3,(H,20,26)(H,21,25)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72918152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).