N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide

C14H23N3O3 — CID 33027611

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCO1
InChIInChI=1S/C14H23N3O3/c1-10-8-17(5-6-19-10)9-12(18)15-13-7-11(16-20-13)14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyPOMMZXJVHYMWFA-JTQLQIEISA-N
MW281.36 g/mol
LogP1.63
Rot. Bonds3

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide (PubChem CID 33027611) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
PubChem CID33027611
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCO1
InChIInChI=1S/C14H23N3O3/c1-10-8-17(5-6-19-10)9-12(18)15-13-7-11(16-20-13)14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyPOMMZXJVHYMWFA-JTQLQIEISA-N
XLogP1.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3-methylpiperidin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79873965
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95610094
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62654573
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
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
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82705490
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692063
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
CID 79827537

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide (CID 33027611) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide is C[C@H]1CN(CC(=O)Nc2cc(C(C)(C)C)no2)CCO1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
The InChIKey is POMMZXJVHYMWFA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-8-17(5-6-19-10)9-12(18)15-13-7-11(16-20-13)14(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide has a molecular weight of 281.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 33027611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).