5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

C16H24F3N3O2 — CID 164638791

IUPAC5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O2/c1-10(2)15-21-13(11(3)24-15)14(23)20-7-12-5-4-6-22(8-12)9-16(17,18)19/h10,12H,4-9H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyDNUWISKBHBXUSH-GFCCVEGCSA-N
MW347.38 g/mol
LogP3.11
Rot. Bonds5

About 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide

5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 164638791) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID164638791
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C(C)C)nc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O2/c1-10(2)15-21-13(11(3)24-15)14(23)20-7-12-5-4-6-22(8-12)9-16(17,18)19/h10,12H,4-9H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyDNUWISKBHBXUSH-GFCCVEGCSA-N
XLogP3.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethyloxazole-4-carbonyl)-N-ethyl-3-methyl-nipecotamide
CID 49789616
US11142526, Example 129
CID 137532948
4-Oxazolecarboxamide, 2-cyclohexyl-N-ethyl-5-methyl-
CID 3040078
N-cyclopentyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195138
2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
N-cyclohexyl-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195128
1-(2,5-dimethyl-1,3-oxazole-4-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 46943758
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168446
N-cyclopentyl-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168464
"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
N-(cyclohexylmethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195171

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide (CID 164638791) is 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1oc(C(C)C)nc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DNUWISKBHBXUSH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-10(2)15-21-13(11(3)24-15)14(23)20-7-12-5-4-6-22(8-12)9-16(17,18)19/h10,12H,4-9H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 164638791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).