[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol

C15H19N3O3 — CID 72935445

IUPAC[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
SMILESCCCc1nnc(N2CCOc3ccc(CO)cc3C2)o1
InChIInChI=1S/C15H19N3O3/c1-2-3-14-16-17-15(21-14)18-6-7-20-13-5-4-11(10-19)8-12(13)9-18/h4-5,8,19H,2-3,6-7,9-10H2,1H3
InChIKeyJBBQSMUJSWFUTF-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.91
Rot. Bonds4

About [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol

[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol (PubChem CID 72935445) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol.

Molecular Properties

Compound Name[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
PubChem CID72935445
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
SMILESCCCc1nnc(N2CCOc3ccc(CO)cc3C2)o1
InChIInChI=1S/C15H19N3O3/c1-2-3-14-16-17-15(21-14)18-6-7-20-13-5-4-11(10-19)8-12(13)9-18/h4-5,8,19H,2-3,6-7,9-10H2,1H3
InChIKeyJBBQSMUJSWFUTF-UHFFFAOYSA-N
XLogP1.91
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol with MolForge

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Related Compounds

[4-(6-propan-2-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 72932942
[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 137342749
[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone
CID 144692530
7-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 122565123
[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1H-imidazol-5-yl)methanone
CID 90652881
(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methanamine
CID 121199772
3-phenyl-6-propyl-2,4-dihydro-1,3-benzoxazine
CID 144612402
2-[[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid
CID 77097937
1-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70770100
[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 72888758
2-[[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 91830103
[4-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 91836749

Frequently Asked Questions

What is the IUPAC name of [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol?
The IUPAC name of [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol (CID 72935445) is [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol.
What is the SMILES notation for [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol?
The canonical SMILES for [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol is CCCc1nnc(N2CCOc3ccc(CO)cc3C2)o1.
What is the InChIKey of [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol?
The InChIKey is JBBQSMUJSWFUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-14-16-17-15(21-14)18-6-7-20-13-5-4-11(10-19)8-12(13)9-18/h4-5,8,19H,2-3,6-7,9-10H2,1H3.
What are the key properties of [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol?
[4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol has a molecular weight of 289.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propyl-1,3,4-oxadiazol-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol is sourced from PubChem (CID 72935445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).