6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide

C19H14ClN3O2 — CID 67951256

IUPAC6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2C(N)=O
InChIInChI=1S/C19H14ClN3O2/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(20)9-7-11)22-17(19(21)24)18(15)25-23-10/h2-9,17H,1H3,(H2,21,24)
InChIKeyOXAOKSYHGBRQPM-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.68
Rot. Bonds2

About 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide (PubChem CID 67951256) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide
PubChem CID67951256
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2C(N)=O
InChIInChI=1S/C19H14ClN3O2/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(20)9-7-11)22-17(19(21)24)18(15)25-23-10/h2-9,17H,1H3,(H2,21,24)
InChIKeyOXAOKSYHGBRQPM-UHFFFAOYSA-N
XLogP3.68
TPSA81.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide (CID 67951256) is 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide is Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2C(N)=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide?
The InChIKey is OXAOKSYHGBRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-10-15-13-4-2-3-5-14(13)16(11-6-8-12(20)9-7-11)22-17(19(21)24)18(15)25-23-10/h2-9,17H,1H3,(H2,21,24).
What are the key properties of 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide?
6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine-4-carboxamide is sourced from PubChem (CID 67951256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).