(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H21F3N4O2 — CID 97328936

IUPAC(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)oc1C
InChIInChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22)/t9-/m0/s1
InChIKeyFIHCXCWJLSUDST-VIFPVBQESA-N
MW334.34 g/mol
LogP2.07
Rot. Bonds3

About (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 97328936) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID97328936
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)oc1C
InChIInChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22)/t9-/m0/s1
InChIKeyFIHCXCWJLSUDST-VIFPVBQESA-N
XLogP2.07
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

1-(2-Cyclobutylethyl)-3-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]urea
CID 71922142
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 47361631
1-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 53573318
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
(3R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
CID 97066898
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 60972922
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827520
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383174
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435572

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 97328936) is (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is Cc1nc(CNC(=O)N2CCN(CC(F)(F)F)[C@@H](C)C2)oc1C.
What is the InChIKey of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is FIHCXCWJLSUDST-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-9-7-20(4-5-21(9)8-14(15,16)17)13(22)18-6-12-19-10(2)11(3)23-12/h9H,4-8H2,1-3H3,(H,18,22)/t9-/m0/s1.
What are the key properties of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 97328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).