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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Related Compounds

CID 57389999
CID 57389999
CID 118591411
CID 118591411
CID 67951243
CID 67951243
CID 2078310
CID 2078310
CID 673627
CID 673627
CID 2746468
CID 2746468
CID 57344433
CID 57344433
CID 57344511
CID 57344511
CID 57344612
CID 57344612
CID 57344635
CID 57344635
CID 57389111
CID 57389111
CID 57389113
CID 57389113

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).