(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C19H30N4O4 — CID 74245482

IUPAC(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(C)noc2C)CN1C1CCOCC1
InChIInChI=1S/C19H30N4O4/c1-4-20-19(25)17-9-14(11-23(17)15-5-7-26-8-6-15)21-18(24)10-16-12(2)22-27-13(16)3/h14-15,17H,4-11H2,1-3H3,(H,20,25)(H,21,24)/t14-,17-/m0/s1
InChIKeyDBTZWNQROUKMTI-YOEHRIQHSA-N
MW378.47 g/mol
LogP0.71
Rot. Bonds6

About (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 74245482) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID74245482
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(C)noc2C)CN1C1CCOCC1
InChIInChI=1S/C19H30N4O4/c1-4-20-19(25)17-9-14(11-23(17)15-5-7-26-8-6-15)21-18(24)10-16-12(2)22-27-13(16)3/h14-15,17H,4-11H2,1-3H3,(H,20,25)(H,21,24)/t14-,17-/m0/s1
InChIKeyDBTZWNQROUKMTI-YOEHRIQHSA-N
XLogP0.71
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-4-(cyclobutanecarbonylamino)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-ethylpyrrolidine-2-carboxamide
CID 72918152
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 79241619
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 74238460
(2S,4R)-1-cyclopentyl-N-ethyl-4-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]pyrrolidine-2-carboxamide
CID 72890501
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
CID 99798346

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (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) is (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2c(C)noc2C)CN1C1CCOCC1.
What is the InChIKey of (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DBTZWNQROUKMTI-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-20-19(25)17-9-14(11-23(17)15-5-7-26-8-6-15)21-18(24)10-16-12(2)22-27-13(16)3/h14-15,17H,4-11H2,1-3H3,(H,20,25)(H,21,24)/t14-,17-/m0/s1.
What are the key properties of (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-N-ethyl-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 74245482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).