(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H24N6O3 — CID 95308445

IUPAC(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-10-7-14(20-24-10)19-16(23)11(2)17-13-5-4-6-22(8-13)9-15-18-12(3)25-21-15/h7,11,13,17H,4-6,8-9H2,1-3H3,(H,19,20,23)/t11-,13+/m1/s1
InChIKeyPKFLTLIHIRFFEP-YPMHNXCESA-N
MW348.41 g/mol
LogP1.26
Rot. Bonds6

About (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95308445) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95308445
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-10-7-14(20-24-10)19-16(23)11(2)17-13-5-4-6-22(8-13)9-15-18-12(3)25-21-15/h7,11,13,17H,4-6,8-9H2,1-3H3,(H,19,20,23)/t11-,13+/m1/s1
InChIKeyPKFLTLIHIRFFEP-YPMHNXCESA-N
XLogP1.26
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

(2S)-2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308444
2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95322030
(2S)-N-cyclopropyl-2-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propanamide
CID 95308501
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
CID 94798808
(3S)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 98758120
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propanamide
CID 95313587
3-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046675
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide
CID 167885182
(3R)-N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95606411
N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779683
N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide
CID 95342775
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95308445) is (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N[C@H]2CCCN(Cc3noc(C)n3)C2)no1.
What is the InChIKey of (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is PKFLTLIHIRFFEP-YPMHNXCESA-N. The full InChI is InChI=1S/C16H24N6O3/c1-10-7-14(20-24-10)19-16(23)11(2)17-13-5-4-6-22(8-13)9-15-18-12(3)25-21-15/h7,11,13,17H,4-6,8-9H2,1-3H3,(H,19,20,23)/t11-,13+/m1/s1.
What are the key properties of (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95308445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).