(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane

C16H21N3O2 — CID 75367720

IUPAC(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
SMILESCn1cc(CN2CCOC[C@H](Oc3ccccc3)C2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-10-14(9-17-18)11-19-7-8-20-13-16(12-19)21-15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3/t16-/m1/s1
InChIKeyWLJGBFXIDXXCCJ-MRXNPFEDSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds4

About (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane

(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane (PubChem CID 75367720) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
PubChem CID75367720
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
SMILESCn1cc(CN2CCOC[C@H](Oc3ccccc3)C2)cn1
InChIInChI=1S/C16H21N3O2/c1-18-10-14(9-17-18)11-19-7-8-20-13-16(12-19)21-15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3/t16-/m1/s1
InChIKeyWLJGBFXIDXXCCJ-MRXNPFEDSA-N
XLogP1.70
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 659769
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1-(Propan-2-ylamino)-3-[4-(2-pyrazol-1-ylethoxy)phenoxy]propan-2-ol
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1-(Tert-butylamino)-3-[4-(2-pyrazol-1-ylethoxy)phenoxy]propan-2-ol
CID 20205246
2-(2-methoxyphenyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 45167401
1-[3-(2-methoxyphenoxy)propyl]-4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
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1-(4-Methylphenoxy)-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 53548696
1-(2-Methylphenoxy)-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 53551651
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CID 53552031
1-(4-Fluorophenoxy)-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 53552949
4-[3-(4-Methoxyphenoxy)propyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53562905
2-[(4-Methylpyrazol-1-yl)methyl]-4-[(3-propan-2-yloxyphenyl)methyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane?
The IUPAC name of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane (CID 75367720) is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane is Cn1cc(CN2CCOC[C@H](Oc3ccccc3)C2)cn1.
What is the InChIKey of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane?
The InChIKey is WLJGBFXIDXXCCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-10-14(9-17-18)11-19-7-8-20-13-16(12-19)21-15-5-3-2-4-6-15/h2-6,9-10,16H,7-8,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane?
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane has a molecular weight of 287.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane is sourced from PubChem (CID 75367720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).