(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

C18H28N2O3 — CID 138009746

IUPAC(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)N2CCOC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-15-10-14(11-19-12-15)17(21)20-7-6-16(18(3,4)5)22-9-8-20/h10-13,16H,6-9H2,1-5H3
InChIKeyZATWWKCZBRAFLV-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.15
Rot. Bonds3

About (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone

(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 138009746) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID138009746
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)N2CCOC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(2)23-15-10-14(11-19-12-15)17(21)20-7-6-16(18(3,4)5)22-9-8-20/h10-13,16H,6-9H2,1-5H3
InChIKeyZATWWKCZBRAFLV-UHFFFAOYSA-N
XLogP3.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone with MolForge

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Related Compounds

morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 154865526
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760
(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 114241870
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
7-(7-tert-butyl-1,4-oxazepane-4-carbonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 138009757
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763

Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 138009746) is (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1cncc(C(=O)N2CCOC(C(C)(C)C)CC2)c1.
What is the InChIKey of (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is ZATWWKCZBRAFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)23-15-10-14(11-19-12-15)17(21)20-7-6-16(18(3,4)5)22-9-8-20/h10-13,16H,6-9H2,1-5H3.
What are the key properties of (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 320.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 138009746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).