2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C16H18N2O2S — CID 134787012

IUPAC2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCCCC1CN(Cc2cccs2)C(=O)c2cccnc2O1
InChIInChI=1S/C16H18N2O2S/c1-2-5-12-10-18(11-13-6-4-9-21-13)16(19)14-7-3-8-17-15(14)20-12/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyRAZISFZEUAOIDC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.35
Rot. Bonds4

About 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134787012) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134787012
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCCCC1CN(Cc2cccs2)C(=O)c2cccnc2O1
InChIInChI=1S/C16H18N2O2S/c1-2-5-12-10-18(11-13-6-4-9-21-13)16(19)14-7-3-8-17-15(14)20-12/h3-4,6-9,12H,2,5,10-11H2,1H3
InChIKeyRAZISFZEUAOIDC-UHFFFAOYSA-N
XLogP3.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134787012) is 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is CCCC1CN(Cc2cccs2)C(=O)c2cccnc2O1.
What is the InChIKey of 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is RAZISFZEUAOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-5-12-10-18(11-13-6-4-9-21-13)16(19)14-7-3-8-17-15(14)20-12/h3-4,6-9,12H,2,5,10-11H2,1H3.
What are the key properties of 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 302.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(thiophen-2-ylmethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134787012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).