benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate

C19H20N2O6 — CID 171856705

IUPACbenzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate
SMILESO=C1COc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2N1
InChIInChI=1S/C19H20N2O6/c22-15(9-20-19(25)27-10-12-4-2-1-3-5-12)18(24)13-6-7-16-14(8-13)21-17(23)11-26-16/h1-8,15,18,22,24H,9-11H2,(H,20,25)(H,21,23)
InChIKeyJHQMKXWKHNQHIB-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.34
Rot. Bonds6

About benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate (PubChem CID 171856705) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate
PubChem CID171856705
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate
SMILESO=C1COc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2N1
InChIInChI=1S/C19H20N2O6/c22-15(9-20-19(25)27-10-12-4-2-1-3-5-12)18(24)13-6-7-16-14(8-13)21-17(23)11-26-16/h1-8,15,18,22,24H,9-11H2,(H,20,25)(H,21,23)
InChIKeyJHQMKXWKHNQHIB-UHFFFAOYSA-N
XLogP1.34
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3,4-dihydroxy-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butyl]carbamate
CID 171889208
benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate
CID 171856157
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779
benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856655
2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 171868946
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate (CID 171856705) is benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate is O=C1COc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2N1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate?
The InChIKey is JHQMKXWKHNQHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-15(9-20-19(25)27-10-12-4-2-1-3-5-12)18(24)13-6-7-16-14(8-13)21-17(23)11-26-16/h1-8,15,18,22,24H,9-11H2,(H,20,25)(H,21,23).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate has a molecular weight of 372.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate is sourced from PubChem (CID 171856705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).