methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate

C10H11N3O3 — CID 13027362

IUPACmethyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)OCC(N)=N2
InChIInChI=1S/C10H11N3O3/c1-15-10(14)12-6-2-3-7-8(4-6)16-5-9(11)13-7/h2-4H,5H2,1H3,(H2,11,13)(H,12,14)
InChIKeyORGFPELXAOITDW-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.25
Rot. Bonds1

About methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate

methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate (PubChem CID 13027362) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate
PubChem CID13027362
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)OCC(N)=N2
InChIInChI=1S/C10H11N3O3/c1-15-10(14)12-6-2-3-7-8(4-6)16-5-9(11)13-7/h2-4H,5H2,1H3,(H2,11,13)(H,12,14)
InChIKeyORGFPELXAOITDW-UHFFFAOYSA-N
XLogP1.25
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2H-1,4-benzoxazin-7-ol
CID 115012899
methyl N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]carbamate
CID 112989260
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
CID 90357824
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
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N-(2-amino-4H-3,1-benzoxazin-6-yl)acetamide;2,3-dihydro-1H-indene
CID 143951459
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-[4-[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]phenyl]acetamide
CID 118149761
methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)carbamate
CID 47132568
methyl N-[4-(1,5-dihydro-2,4,3-benzodioxaborepin-3-yl)phenyl]carbamate
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methyl N-(3-chloro-4-hydroxyphenyl)carbamate
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methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate?
The IUPAC name of methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate (CID 13027362) is methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate.
What is the SMILES notation for methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate?
The canonical SMILES for methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate is COC(=O)Nc1ccc2c(c1)OCC(N)=N2.
What is the InChIKey of methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate?
The InChIKey is ORGFPELXAOITDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-15-10(14)12-6-2-3-7-8(4-6)16-5-9(11)13-7/h2-4H,5H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate?
methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate has a molecular weight of 221.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-amino-2H-1,4-benzoxazin-7-yl)carbamate is sourced from PubChem (CID 13027362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).