5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C16H23N5O2 — CID 95219384

IUPAC5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)NC[C@H]3CCCN(C)C3)no2)cnn1C
InChIInChI=1S/C16H23N5O2/c1-11-13(9-18-21(11)3)15-7-14(19-23-15)16(22)17-8-12-5-4-6-20(2)10-12/h7,9,12H,4-6,8,10H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyQYLSUVPRDQKWSO-GFCCVEGCSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds4

About 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95219384) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID95219384
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1c(-c2cc(C(=O)NC[C@H]3CCCN(C)C3)no2)cnn1C
InChIInChI=1S/C16H23N5O2/c1-11-13(9-18-21(11)3)15-7-14(19-23-15)16(22)17-8-12-5-4-6-20(2)10-12/h7,9,12H,4-6,8,10H2,1-3H3,(H,17,22)/t12-/m1/s1
InChIKeyQYLSUVPRDQKWSO-GFCCVEGCSA-N
XLogP1.46
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)picolinamide
CID 57944963
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
US10889564, Example 22
CID 129104683
US10889564, Example 30
CID 129104768
US10889564, Example 34
CID 129104776
US10889564, Example 29
CID 129104778
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 95219384) is 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1c(-c2cc(C(=O)NC[C@H]3CCCN(C)C3)no2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QYLSUVPRDQKWSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-13(9-18-21(11)3)15-7-14(19-23-15)16(22)17-8-12-5-4-6-20(2)10-12/h7,9,12H,4-6,8,10H2,1-3H3,(H,17,22)/t12-/m1/s1.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95219384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).