6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C17H17N3O2 — CID 170995051

IUPAC6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESO=C1c2cnc(-c3ccccc3)nc2OCCN1CC1CC1
InChIInChI=1S/C17H17N3O2/c21-17-14-10-18-15(13-4-2-1-3-5-13)19-16(14)22-9-8-20(17)11-12-6-7-12/h1-5,10,12H,6-9,11H2
InChIKeyHJPMLVVQAWTSLI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds3

About 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 170995051) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID170995051
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESO=C1c2cnc(-c3ccccc3)nc2OCCN1CC1CC1
InChIInChI=1S/C17H17N3O2/c21-17-14-10-18-15(13-4-2-1-3-5-13)19-16(14)22-9-8-20(17)11-12-6-7-12/h1-5,10,12H,6-9,11H2
InChIKeyHJPMLVVQAWTSLI-UHFFFAOYSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 170995051) is 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is O=C1c2cnc(-c3ccccc3)nc2OCCN1CC1CC1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is HJPMLVVQAWTSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17-14-10-18-15(13-4-2-1-3-5-13)19-16(14)22-9-8-20(17)11-12-6-7-12/h1-5,10,12H,6-9,11H2.
What are the key properties of 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 295.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-phenyl-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 170995051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).