N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C15H26N4O3 — CID 94025784

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C15H26N4O3/c1-11-9-19(10-12(2)21-11)8-7-16-14(20)5-4-6-15-17-13(3)18-22-15/h11-12H,4-10H2,1-3H3,(H,16,20)/t11-,12+
InChIKeyKYTQMWWWCPAKOL-TXEJJXNPSA-N
MW310.40 g/mol
LogP0.93
Rot. Bonds7

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 94025784) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID94025784
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C15H26N4O3/c1-11-9-19(10-12(2)21-11)8-7-16-14(20)5-4-6-15-17-13(3)18-22-15/h11-12H,4-10H2,1-3H3,(H,16,20)/t11-,12+
InChIKeyKYTQMWWWCPAKOL-TXEJJXNPSA-N
XLogP0.93
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55526537
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 55521788
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
N-(3-hydroxy-3-phenylpropyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 111471932
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide
CID 55629292
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119448539
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
1-(3-hydroxyazetidin-1-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 71853002
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 154738324

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 94025784) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is KYTQMWWWCPAKOL-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11-9-19(10-12(2)21-11)8-7-16-14(20)5-4-6-15-17-13(3)18-22-15/h11-12H,4-10H2,1-3H3,(H,16,20)/t11-,12+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 310.40 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 94025784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).