N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide

C22H22FN3O2 — CID 166295531

IUPACN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCNC2)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O2/c1-14(22-25-13-20(28-22)15-6-8-19(23)9-7-15)26-21(27)17-4-5-18-12-24-10-2-3-16(18)11-17/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,26,27)
InChIKeyAINQTOFIFJIYFW-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide

N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide (PubChem CID 166295531) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide
PubChem CID166295531
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCCNC2)c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O2/c1-14(22-25-13-20(28-22)15-6-8-19(23)9-7-15)26-21(27)17-4-5-18-12-24-10-2-3-16(18)11-17/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,26,27)
InChIKeyAINQTOFIFJIYFW-UHFFFAOYSA-N
XLogP4.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]carbamate
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N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
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N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide
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N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide (CID 166295531) is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide is CC(NC(=O)c1ccc2c(c1)CCCNC2)c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide?
The InChIKey is AINQTOFIFJIYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14(22-25-13-20(28-22)15-6-8-19(23)9-7-15)26-21(27)17-4-5-18-12-24-10-2-3-16(18)11-17/h4-9,11,13-14,24H,2-3,10,12H2,1H3,(H,26,27).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide?
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide is sourced from PubChem (CID 166295531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).