N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

C16H23N5O2 — CID 56780329

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCCCC2Cn2cccn2)no1
InChIInChI=1S/C16H23N5O2/c1-13-11-15(19-23-13)18-16(22)6-10-20-8-3-2-5-14(20)12-21-9-4-7-17-21/h4,7,9,11,14H,2-3,5-6,8,10,12H2,1H3,(H,18,19,22)
InChIKeyCXIXAPYGGZIIND-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.06
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 56780329) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID56780329
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCCCC2Cn2cccn2)no1
InChIInChI=1S/C16H23N5O2/c1-13-11-15(19-23-13)18-16(22)6-10-20-8-3-2-5-14(20)12-21-9-4-7-17-21/h4,7,9,11,14H,2-3,5-6,8,10,12H2,1H3,(H,18,19,22)
InChIKeyCXIXAPYGGZIIND-UHFFFAOYSA-N
XLogP2.06
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4775912
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CID 53564778
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CID 53613486
CID 53613486
CID 53618576
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CID 53622023
CID 53622023
CID 56780395
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CID 56780468
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CID 56780547
CID 56780547

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 56780329) is N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is Cc1cc(NC(=O)CCN2CCCCC2Cn2cccn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is CXIXAPYGGZIIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13-11-15(19-23-13)18-16(22)6-10-20-8-3-2-5-14(20)12-21-9-4-7-17-21/h4,7,9,11,14H,2-3,5-6,8,10,12H2,1H3,(H,18,19,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56780329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).