ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate

C13H15N3O3 — CID 4897177

IUPACethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C13H15N3O3/c1-2-19-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyASZBFWVDZKFHCB-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.13
Rot. Bonds2

About ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate

ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate (PubChem CID 4897177) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
PubChem CID4897177
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C13H15N3O3/c1-2-19-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyASZBFWVDZKFHCB-UHFFFAOYSA-N
XLogP2.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-3-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 89459791
ethyl N-[2-[(1R)-1-phenylethyl]-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl]carbamate
CID 7008637
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 4889371
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-N-methyl-1-methylsulfonylformamide
CID 4898872
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
CID 4893629
4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
CID 120937859
ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate
CID 11090541
ethyl N-[4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]carbamate
CID 110292016
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889634
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 22579619
[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
CID 163714434

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The IUPAC name of ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate (CID 4897177) is ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate.
What is the SMILES notation for ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The canonical SMILES for ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate is CCOC(=O)Nc1ccc2c(c1)nc1n2CCOC1.
What is the InChIKey of ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
The InChIKey is ASZBFWVDZKFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17).
What are the key properties of ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate?
ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate is sourced from PubChem (CID 4897177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).