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

C16H24N6O3 — CID 95610094

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)on1
InChIInChI=1S/C16H24N6O3/c1-16(2,3)13-6-15(25-20-13)19-14(23)9-21-4-5-24-12(7-21)8-22-11-17-10-18-22/h6,10-12H,4-5,7-9H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyMJWJNWPXRYBJRA-LBPRGKRZSA-N
MW348.41 g/mol
LogP0.90
Rot. Bonds5

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

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95610094) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95610094
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)on1
InChIInChI=1S/C16H24N6O3/c1-16(2,3)13-6-15(25-20-13)19-14(23)9-21-4-5-24-12(7-21)8-22-11-17-10-18-22/h6,10-12H,4-5,7-9H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyMJWJNWPXRYBJRA-LBPRGKRZSA-N
XLogP0.90
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 53568201
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53569388
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53585756
2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 53585919
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]acetamide
CID 53590527
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53593345
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)acetamide
CID 53600934
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)acetamide
CID 53600957
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53604528
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53610337
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802705
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 71932579

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95610094) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is CC(C)(C)c1cc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is MJWJNWPXRYBJRA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-16(2,3)13-6-15(25-20-13)19-14(23)9-21-4-5-24-12(7-21)8-22-11-17-10-18-22/h6,10-12H,4-5,7-9H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95610094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).