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2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide

C20H23N5O3S — CID 171719186

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESC=C(C)c1csnc1O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1
InChIInChI=1S/C20H23N5O3S/c1-11(2)16-10-29-25-20(16)27-14-5-4-13(7-14)17-9-18(23-22-17)21-19(26)8-15-6-12(3)24-28-15/h6,9-10,13-14H,1,4-5,7-8H2,2-3H3,(H2,21,22,23,26)/t13-,14+/m1/s1
InChIKeyTUSDTTZLECMLDK-KGLIPLIRSA-N
MW413.50 g/mol
LogP4.09
Rot. Bonds7

About 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide

2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 171719186) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
PubChem CID171719186
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide
SMILESC=C(C)c1csnc1O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1
InChIInChI=1S/C20H23N5O3S/c1-11(2)16-10-29-25-20(16)27-14-5-4-13(7-14)17-9-18(23-22-17)21-19(26)8-15-6-12(3)24-28-15/h6,9-10,13-14H,1,4-5,7-8H2,2-3H3,(H2,21,22,23,26)/t13-,14+/m1/s1
InChIKeyTUSDTTZLECMLDK-KGLIPLIRSA-N
XLogP4.09
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide (CID 171719186) is 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide is C=C(C)c1csnc1O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cc(C)no3)n[nH]2)C1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is TUSDTTZLECMLDK-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-11(2)16-10-29-25-20(16)27-14-5-4-13(7-14)17-9-18(23-22-17)21-19(26)8-15-6-12(3)24-28-15/h6,9-10,13-14H,1,4-5,7-8H2,2-3H3,(H2,21,22,23,26)/t13-,14+/m1/s1.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide?
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1R,3S)-3-[(4-prop-1-en-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 171719186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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