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

C16H23N5O2 — CID 97004448

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n[nH]1
InChIInChI=1S/C16H23N5O2/c1-10-7-14(19-18-10)13-5-4-6-21(9-13)12(3)16(22)17-15-8-11(2)23-20-15/h7-8,12-13H,4-6,9H2,1-3H3,(H,18,19)(H,17,20,22)/t12-,13-/m0/s1
InChIKeyCFDSCGFUXDPHMX-STQMWFEESA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds4

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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 97004448) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 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]propanamide.

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]propanamide
PubChem CID97004448
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n[nH]1
InChIInChI=1S/C16H23N5O2/c1-10-7-14(19-18-10)13-5-4-6-21(9-13)12(3)16(22)17-15-8-11(2)23-20-15/h7-8,12-13H,4-6,9H2,1-3H3,(H,18,19)(H,17,20,22)/t12-,13-/m0/s1
InChIKeyCFDSCGFUXDPHMX-STQMWFEESA-N
XLogP2.22
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
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]butanamide
CID 97025158
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 71926954
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
N-(3-methyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004520
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 71926982
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 71872317
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 100871736
(2S)-2-[4-(4-fluoroanilino)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95302315
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46403514

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]propanamide?
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]propanamide (CID 97004448) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide.
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]propanamide?
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]propanamide is Cc1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n[nH]1.
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]propanamide?
The InChIKey is CFDSCGFUXDPHMX-STQMWFEESA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-7-14(19-18-10)13-5-4-6-21(9-13)12(3)16(22)17-15-8-11(2)23-20-15/h7-8,12-13H,4-6,9H2,1-3H3,(H,18,19)(H,17,20,22)/t12-,13-/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]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.22, 4 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]propanamide is sourced from PubChem (CID 97004448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).