(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone

C20H24N2O3 — CID 138009810

IUPAC(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCOC(c3ccccc3)CC2)n1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-19-10-6-9-17(21-19)20(23)22-12-11-18(24-14-13-22)16-7-4-3-5-8-16/h3-10,15,18H,11-14H2,1-2H3
InChIKeyQUBAZJRCYOWQFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds4

About (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone

(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 138009810) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID138009810
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCOC(c3ccccc3)CC2)n1
InChIInChI=1S/C20H24N2O3/c1-15(2)25-19-10-6-9-17(21-19)20(23)22-12-11-18(24-14-13-22)16-7-4-3-5-8-16/h3-10,15,18H,11-14H2,1-2H3
InChIKeyQUBAZJRCYOWQFB-UHFFFAOYSA-N
XLogP3.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
2-[(2R)-1-(6-propan-2-yloxypyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 129468796
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 146122533
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970
[4-(3-nitrophenyl)piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 99719204
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
(7-phenyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-c]pyridin-4-yl)methanone
CID 138009786
[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone
CID 89088409
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl-(6-propan-2-yloxy-2-pyridinyl)methanone
CID 127728475
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767

Frequently Asked Questions

What is the IUPAC name of (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone (CID 138009810) is (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1cccc(C(=O)N2CCOC(c3ccccc3)CC2)n1.
What is the InChIKey of (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is QUBAZJRCYOWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)25-19-10-6-9-17(21-19)20(23)22-12-11-18(24-14-13-22)16-7-4-3-5-8-16/h3-10,15,18H,11-14H2,1-2H3.
What are the key properties of (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone?
(7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenyl-1,4-oxazepan-4-yl)-(6-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 138009810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).