(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone

C17H19N3O2 — CID 164633702

IUPAC(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCO[C@H](c3ccccc3)CC2)n1
InChIInChI=1S/C17H19N3O2/c1-13-18-9-7-15(19-13)17(21)20-10-8-16(22-12-11-20)14-5-3-2-4-6-14/h2-7,9,16H,8,10-12H2,1H3/t16-/m0/s1
InChIKeyHAUVNMFBFTVUBE-INIZCTEOSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone

(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone (PubChem CID 164633702) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone
PubChem CID164633702
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone
SMILESCc1nccc(C(=O)N2CCO[C@H](c3ccccc3)CC2)n1
InChIInChI=1S/C17H19N3O2/c1-13-18-9-7-15(19-13)17(21)20-10-8-16(22-12-11-20)14-5-3-2-4-6-14/h2-7,9,16H,8,10-12H2,1H3/t16-/m0/s1
InChIKeyHAUVNMFBFTVUBE-INIZCTEOSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone (CID 164633702) is (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone is Cc1nccc(C(=O)N2CCO[C@H](c3ccccc3)CC2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone?
The InChIKey is HAUVNMFBFTVUBE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-18-9-7-15(19-13)17(21)20-10-8-16(22-12-11-20)14-5-3-2-4-6-14/h2-7,9,16H,8,10-12H2,1H3/t16-/m0/s1.
What are the key properties of (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone?
(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 164633702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).