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

C17H23N5O2 — CID 94054984

IUPAC4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)on1
InChIInChI=1S/C17H23N5O2/c1-13-11-15(24-20-13)12-21-7-9-22(10-8-21)17(23)19-14(2)16-5-3-4-6-18-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyNVEJHDYNTBTSSZ-AWEZNQCLSA-N
MW329.40 g/mol
LogP1.97
Rot. Bonds4

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

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide (PubChem CID 94054984) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
PubChem CID94054984
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)on1
InChIInChI=1S/C17H23N5O2/c1-13-11-15(24-20-13)12-21-7-9-22(10-8-21)17(23)19-14(2)16-5-3-4-6-18-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyNVEJHDYNTBTSSZ-AWEZNQCLSA-N
XLogP1.97
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
3-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119399329
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 46419065
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51269760

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide (CID 94054984) is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)on1.
What is the InChIKey of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The InChIKey is NVEJHDYNTBTSSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-11-15(24-20-13)12-21-7-9-22(10-8-21)17(23)19-14(2)16-5-3-4-6-18-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 94054984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).