N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

C15H22N6O3 — CID 95349962

IUPACN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)on1
InChIInChI=1S/C15H22N6O3/c1-11(2)13-5-15(24-19-13)18-14(22)8-20-3-4-23-12(6-20)7-21-10-16-9-17-21/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyKWRWUGSVTKEQSS-GFCCVEGCSA-N
MW334.38 g/mol
LogP0.73
Rot. Bonds6

About N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95349962) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95349962
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)on1
InChIInChI=1S/C15H22N6O3/c1-11(2)13-5-15(24-19-13)18-14(22)8-20-3-4-23-12(6-20)7-21-10-16-9-17-21/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyKWRWUGSVTKEQSS-GFCCVEGCSA-N
XLogP0.73
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(4-methyl-1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95349388
N-pyridin-3-yl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95750628
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 56802761
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 56802758
N-methyl-N-[(1R)-1-phenylethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 100843546
2-(4-methylpiperidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 17395553
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 86773616
methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
CID 79827537
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 60689757

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95349962) is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is CC(C)c1cc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)on1.
What is the InChIKey of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is KWRWUGSVTKEQSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-11(2)13-5-15(24-19-13)18-14(22)8-20-3-4-23-12(6-20)7-21-10-16-9-17-21/h5,9-12H,3-4,6-8H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95349962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).