7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine

C18H18N2O — CID 118711273

IUPAC7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
SMILESCN1CCc2cc3ocnc3cc2C(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-20-8-7-14-9-18-17(19-12-21-18)10-15(14)16(11-20)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3
InChIKeyOBHRXPIOBQKIDU-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.45
Rot. Bonds1

About 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine

7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine (PubChem CID 118711273) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine.

Molecular Properties

Compound Name7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
PubChem CID118711273
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
SMILESCN1CCc2cc3ocnc3cc2C(c2ccccc2)C1
InChIInChI=1S/C18H18N2O/c1-20-8-7-14-9-18-17(19-12-21-18)10-15(14)16(11-20)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3
InChIKeyOBHRXPIOBQKIDU-UHFFFAOYSA-N
XLogP3.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
2,5,6-Trimethylbenzoxazole
CID 87965
N-(3-Benzooxazol-7-yl-propyl)-acetamide
CID 22718532
N-(3-Benzooxazol-7-yl-propyl)-propionamide
CID 22718564
6-Methyl-5-oxa-7,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),6,9-tetraene
CID 9794372
5-Oxa-7,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),6,9-tetraene
CID 9859046
N-[2-(2-Phenyl-7,8-dihydro-6H-indeno[5,4-d][1,3]oxazol-8-yl)ethyl]acetamide
CID 57781208
N-[2-(7,8-Dihydro-6H-indeno[5,4-d][1,3]oxazol-8-yl)ethyl]acetamide
CID 57781227
N-[2-(2-Benzyl-7,8-dihydro-6H-indeno[5,4-d][1,3]oxazol-8-yl)ethyl]acetamide
CID 57781240
4-(5-Isopropylbenzo[d]oxazol-2-yl)aniline
CID 772857
Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, ethyl sulfate (1:1)
CID 11760250
N-(3-Benzooxazol-7-yl-propyl)-butyramide
CID 44349108

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine?
The IUPAC name of 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine (CID 118711273) is 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine.
What is the SMILES notation for 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine?
The canonical SMILES for 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine is CN1CCc2cc3ocnc3cc2C(c2ccccc2)C1.
What is the InChIKey of 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine?
The InChIKey is OBHRXPIOBQKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-8-7-14-9-18-17(19-12-21-18)10-15(14)16(11-20)13-5-3-2-4-6-13/h2-6,9-10,12,16H,7-8,11H2,1H3.
What are the key properties of 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine?
7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine has a molecular weight of 278.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine is sourced from PubChem (CID 118711273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).