5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C17H24N6O3 — CID 154738846

IUPAC5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2nc(-c3cnn(C)c3)oc2C)CC1
InChIInChI=1S/C17H24N6O3/c1-11-15(21-17(26-11)12-8-19-22(3)9-12)16(25)20-13-4-6-23(7-5-13)10-14(24)18-2/h8-9,13H,4-7,10H2,1-3H3,(H,18,24)(H,20,25)
InChIKeyAABOZYYHBWVZOU-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.32
Rot. Bonds5

About 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 154738846) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID154738846
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2nc(-c3cnn(C)c3)oc2C)CC1
InChIInChI=1S/C17H24N6O3/c1-11-15(21-17(26-11)12-8-19-22(3)9-12)16(25)20-13-4-6-23(7-5-13)10-14(24)18-2/h8-9,13H,4-7,10H2,1-3H3,(H,18,24)(H,20,25)
InChIKeyAABOZYYHBWVZOU-UHFFFAOYSA-N
XLogP0.32
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119449966
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32529829
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 139011651
(2S)-4-methyl-2-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]pentanoic acid
CID 119361397
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
3-amino-N-[[1-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120578685
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 119665253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 154738846) is 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is CNC(=O)CN1CCC(NC(=O)c2nc(-c3cnn(C)c3)oc2C)CC1.
What is the InChIKey of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is AABOZYYHBWVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-15(21-17(26-11)12-8-19-22(3)9-12)16(25)20-13-4-6-23(7-5-13)10-14(24)18-2/h8-9,13H,4-7,10H2,1-3H3,(H,18,24)(H,20,25).
What are the key properties of 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154738846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).