2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

C17H24N4O2S — CID 129336128

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESCc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C17H24N4O2S/c1-11-15(13(3)23-20-11)6-17(22)21(8-14-4-5-18-7-14)9-16-12(2)19-10-24-16/h10,14,18H,4-9H2,1-3H3/t14-/m1/s1
InChIKeyJRGALOZNWOEDLI-CQSZACIVSA-N
MW348.47 g/mol
LogP2.24
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (PubChem CID 129336128) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
PubChem CID129336128
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
SMILESCc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C17H24N4O2S/c1-11-15(13(3)23-20-11)6-17(22)21(8-14-4-5-18-7-14)9-16-12(2)19-10-24-16/h10,14,18H,4-9H2,1-3H3/t14-/m1/s1
InChIKeyJRGALOZNWOEDLI-CQSZACIVSA-N
XLogP2.24
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 53615038
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 53617213
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 75462128
N,N-dimethyl-5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 70764070
N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 77086182
2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 137991137
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 137992367
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 128972234
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 128990976
2-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75461115
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117081453
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 117081940

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide (CID 129336128) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JRGALOZNWOEDLI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-15(13(3)23-20-11)6-17(22)21(8-14-4-5-18-7-14)9-16-12(2)19-10-24-16/h10,14,18H,4-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 129336128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).