(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide

C17H25N5O2 — CID 97025158

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C17H25N5O2/c1-4-15(17(23)18-16-9-12(3)24-21-16)22-7-5-6-13(10-22)14-8-11(2)19-20-14/h8-9,13,15H,4-7,10H2,1-3H3,(H,19,20)(H,18,21,23)/t13-,15-/m0/s1
InChIKeyQDQGNIVNTLITKR-ZFWWWQNUSA-N
MW331.42 g/mol
LogP2.61
Rot. Bonds5

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide (PubChem CID 97025158) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
PubChem CID97025158
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
SMILESCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2cc(C)[nH]n2)C1
InChIInChI=1S/C17H25N5O2/c1-4-15(17(23)18-16-9-12(3)24-21-16)22-7-5-6-13(10-22)14-8-11(2)19-20-14/h8-9,13,15H,4-7,10H2,1-3H3,(H,19,20)(H,18,21,23)/t13-,15-/m0/s1
InChIKeyQDQGNIVNTLITKR-ZFWWWQNUSA-N
XLogP2.61
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 100871755
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97004448
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95282319
N-(3-methyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004520
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 71926954
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 71926982
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3R)-2-oxoazepan-3-yl]piperazin-1-yl]butanamide
CID 95785782
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004522
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004521
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butanamide
CID 95610196

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide (CID 97025158) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide is CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC[C@H](c2cc(C)[nH]n2)C1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
The InChIKey is QDQGNIVNTLITKR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15(17(23)18-16-9-12(3)24-21-16)22-7-5-6-13(10-22)14-8-11(2)19-20-14/h8-9,13,15H,4-7,10H2,1-3H3,(H,19,20)(H,18,21,23)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide has a molecular weight of 331.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 97025158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).