4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C17H24N6O3S — CID 171389277

IUPAC4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3ocnc3C)N2C)s1
InChIInChI=1S/C17H24N6O3S/c1-10-16(26-9-20-10)17(25)19-7-13-5-4-12(23(13)3)6-14(24)18-8-15-22-21-11(2)27-15/h9,12-13H,4-8H2,1-3H3,(H,18,24)(H,19,25)/t12-,13+/m1/s1
InChIKeyXZGMDSMTPPHAEG-OLZOCXBDSA-N
MW392.49 g/mol
LogP1.04
Rot. Bonds7

About 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 171389277) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID171389277
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3ocnc3C)N2C)s1
InChIInChI=1S/C17H24N6O3S/c1-10-16(26-9-20-10)17(25)19-7-13-5-4-12(23(13)3)6-14(24)18-8-15-22-21-11(2)27-15/h9,12-13H,4-8H2,1-3H3,(H,18,24)(H,19,25)/t12-,13+/m1/s1
InChIKeyXZGMDSMTPPHAEG-OLZOCXBDSA-N
XLogP1.04
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171389370
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 171913339
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
N-[[(2S,5R)-1-methyl-5-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 171386975
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 166614209
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]butanamide
CID 110870149
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166624227
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
CID 165427598
1-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 138049657
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 83619478
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 166618970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 171389277) is 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1nnc(CNC(=O)C[C@H]2CC[C@@H](CNC(=O)c3ocnc3C)N2C)s1.
What is the InChIKey of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XZGMDSMTPPHAEG-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-10-16(26-9-20-10)17(25)19-7-13-5-4-12(23(13)3)6-14(24)18-8-15-22-21-11(2)27-15/h9,12-13H,4-8H2,1-3H3,(H,18,24)(H,19,25)/t12-,13+/m1/s1.
What are the key properties of 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S,5R)-1-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 171389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).