N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C16H20F3N3O3 — CID 128989548

IUPACN-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2oc(C3CC3)nc2C)C1
InChIInChI=1S/C16H20F3N3O3/c1-8-13(25-14(20-8)10-3-4-10)15(24)22-7-11(21-9(2)23)5-6-12(22)16(17,18)19/h10-12H,3-7H2,1-2H3,(H,21,23)
InChIKeyPOSSKWCFYOCKAI-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.53
Rot. Bonds3

About N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989548) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989548
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC NameN-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2oc(C3CC3)nc2C)C1
InChIInChI=1S/C16H20F3N3O3/c1-8-13(25-14(20-8)10-3-4-10)15(24)22-7-11(21-9(2)23)5-6-12(22)16(17,18)19/h10-12H,3-7H2,1-2H3,(H,21,23)
InChIKeyPOSSKWCFYOCKAI-UHFFFAOYSA-N
XLogP2.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 124847548
2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 124850902
N-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dimethyl-N-propan-2-yl-1,3-oxazole-5-carboxamide
CID 126800338
2,4-dimethyl-N-[(1-pent-2-yn-1-ylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide formate
CID 131904082
2,4-dimethyl-N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 164630940
5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 164638791
2-methyl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 24872357
2-methyl-N-[(2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 143571314

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989548) is N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2oc(C3CC3)nc2C)C1.
What is the InChIKey of N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is POSSKWCFYOCKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-8-13(25-14(20-8)10-3-4-10)15(24)22-7-11(21-9(2)23)5-6-12(22)16(17,18)19/h10-12H,3-7H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 359.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).