N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide

C21H25F3N4O4S — CID 25211808

IUPACN-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN4CCOCC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4S/c1-13-18(26-32-19(13)21(22,23)24)15-4-5-16(33-15)20(30)28-6-2-3-14(11-28)25-17(29)12-27-7-9-31-10-8-27/h4-5,14H,2-3,6-12H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyJJGIPTQCYODWHK-AWEZNQCLSA-N
MW486.52 g/mol
LogP2.78
Rot. Bonds5

About N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide

N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide (PubChem CID 25211808) has the molecular formula C21H25F3N4O4S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide
PubChem CID25211808
Molecular FormulaC21H25F3N4O4S
Molecular Weight486.52 g/mol
Exact Mass486.15
IUPAC NameN-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide
SMILESCc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN4CCOCC4)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C21H25F3N4O4S/c1-13-18(26-32-19(13)21(22,23)24)15-4-5-16(33-15)20(30)28-6-2-3-14(11-28)25-17(29)12-27-7-9-31-10-8-27/h4-5,14H,2-3,6-12H2,1H3,(H,25,29)/t14-/m0/s1
InChIKeyJJGIPTQCYODWHK-AWEZNQCLSA-N
XLogP2.78
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide (CID 25211808) is N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide is Cc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN4CCOCC4)C3)s2)noc1C(F)(F)F.
What is the InChIKey of N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
The InChIKey is JJGIPTQCYODWHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25F3N4O4S/c1-13-18(26-32-19(13)21(22,23)24)15-4-5-16(33-15)20(30)28-6-2-3-14(11-28)25-17(29)12-27-7-9-31-10-8-27/h4-5,14H,2-3,6-12H2,1H3,(H,25,29)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide?
N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide has a molecular weight of 486.52 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 25211808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).