N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

C19H27N3O3 — CID 166180590

IUPACN-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCc1noc2ncc(NC(=O)COC3CC(C)CCC3C(C)C)cc12
InChIInChI=1S/C19H27N3O3/c1-11(2)15-6-5-12(3)7-17(15)24-10-18(23)21-14-8-16-13(4)22-25-19(16)20-9-14/h8-9,11-12,15,17H,5-7,10H2,1-4H3,(H,21,23)
InChIKeyPDLFNQUVIWMPLL-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.95
Rot. Bonds5

About N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide

N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (PubChem CID 166180590) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
PubChem CID166180590
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
SMILESCc1noc2ncc(NC(=O)COC3CC(C)CCC3C(C)C)cc12
InChIInChI=1S/C19H27N3O3/c1-11(2)15-6-5-12(3)7-17(15)24-10-18(23)21-14-8-16-13(4)22-25-19(16)20-9-14/h8-9,11-12,15,17H,5-7,10H2,1-4H3,(H,21,23)
InChIKeyPDLFNQUVIWMPLL-UHFFFAOYSA-N
XLogP3.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 51725876
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166211109
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 41013188
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 124743972
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 51672103
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
N-(3,4-dimethylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166181611
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42939618

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide (CID 166180590) is N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is Cc1noc2ncc(NC(=O)COC3CC(C)CCC3C(C)C)cc12.
What is the InChIKey of N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
The InChIKey is PDLFNQUVIWMPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11(2)15-6-5-12(3)7-17(15)24-10-18(23)21-14-8-16-13(4)22-25-19(16)20-9-14/h8-9,11-12,15,17H,5-7,10H2,1-4H3,(H,21,23).
What are the key properties of N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide?
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide is sourced from PubChem (CID 166180590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).