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

C19H23F3N4O3S — CID 25211713

IUPAC2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide
SMILESCc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN(C)C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C19H23F3N4O3S/c1-11-16(24-29-17(11)19(20,21)22)13-6-7-14(30-13)18(28)26-8-4-5-12(9-26)23-15(27)10-25(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyAKAFIVNLEMYFRX-LBPRGKRZSA-N
MW444.48 g/mol
LogP3.01
Rot. Bonds5

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

2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide (PubChem CID 25211713) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide
PubChem CID25211713
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide
SMILESCc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN(C)C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C19H23F3N4O3S/c1-11-16(24-29-17(11)19(20,21)22)13-6-7-14(30-13)18(28)26-8-4-5-12(9-26)23-15(27)10-25(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyAKAFIVNLEMYFRX-LBPRGKRZSA-N
XLogP3.01
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide (CID 25211713) is 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide is Cc1c(-c2ccc(C(=O)N3CCC[C@H](NC(=O)CN(C)C)C3)s2)noc1C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is AKAFIVNLEMYFRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-11-16(24-29-17(11)19(20,21)22)13-6-7-14(30-13)18(28)26-8-4-5-12(9-26)23-15(27)10-25(2)3/h6-7,12H,4-5,8-10H2,1-3H3,(H,23,27)/t12-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide?
2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 444.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 25211713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).