(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate

C22H18N2O3 — CID 10872042

IUPAC(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21
InChIInChI=1S/C22H18N2O3/c25-22(23-16-12-13-16)27-21-18-10-6-14-24(18)17-9-4-5-11-19(17)26-20(21)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,23,25)
InChIKeyZUHXBQBLHMWREE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.58
Rot. Bonds3

About (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate

(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate (PubChem CID 10872042) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate.

Molecular Properties

Compound Name(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate
PubChem CID10872042
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21
InChIInChI=1S/C22H18N2O3/c25-22(23-16-12-13-16)27-21-18-10-6-14-24(18)17-9-4-5-11-19(17)26-20(21)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,23,25)
InChIKeyZUHXBQBLHMWREE-UHFFFAOYSA-N
XLogP4.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pbox-6
CID 9865511
Benzothiazepine analog 8
CID 10809833
Benzoxazepine analog 1
CID 9798301
Benzothiazepine analog 6
CID 9798976
Benzothiazepine analog 5
CID 9927532
Benzothiazepine analog 3
CID 9950117
Benzothiazepine analog 7
CID 10045805
Benzothiazepine analog 1
CID 10317281
Methyl-carbamic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 9902135
Ethyl-carbamic acid 7-chloro-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 10045357
Methyl-propyl-carbamic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 10992385
Ethyl-carbamic acid 5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 11024810

Frequently Asked Questions

What is the IUPAC name of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate?
The IUPAC name of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate (CID 10872042) is (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate.
What is the SMILES notation for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate?
The canonical SMILES for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate is O=C(NC1CC1)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21.
What is the InChIKey of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate?
The InChIKey is ZUHXBQBLHMWREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(23-16-12-13-16)27-21-18-10-6-14-24(18)17-9-4-5-11-19(17)26-20(21)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2,(H,23,25).
What are the key properties of (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate?
(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate has a molecular weight of 358.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N-cyclopropylcarbamate is sourced from PubChem (CID 10872042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).