benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate

C15H13N3O4 — CID 11077412

IUPACbenzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
SMILESCn1c(=O)oc2nc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C15H13N3O4/c1-18-11-7-8-12(16-13(11)22-15(18)20)17-14(19)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyKYRIHUYPNKMXQJ-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.28
Rot. Bonds3

About benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate

benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate (PubChem CID 11077412) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
PubChem CID11077412
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Namebenzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate
SMILESCn1c(=O)oc2nc(NC(=O)OCc3ccccc3)ccc21
InChIInChI=1S/C15H13N3O4/c1-18-11-7-8-12(16-13(11)22-15(18)20)17-14(19)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyKYRIHUYPNKMXQJ-UHFFFAOYSA-N
XLogP2.28
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 10540924
3-(2-methoxybenzyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 3238548
ethyl N-[2-amino-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 110178331
ethyl N-[3-amino-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
CID 141741322
ethyl N-[2-acetamido-6-[(4-fluorophenyl)methoxy]-3-pyridinyl]carbamate
CID 178295521
3-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 134794004
1,7-Dimethyl-5-phenyl-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 397736
5-(Benzyloxy)-3-(2-fluorophenyl)-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 67312866
tert-butyl N-[7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-5-yl]carbamate
CID 69573601
2-fluoro-4-[3-[6-methoxy-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzonitrile
CID 156516938
ethyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
CID 167435381
propyl N-[3-amino-5-fluoro-6-[(4-fluorophenyl)methoxy]-2-pyridinyl]carbamate
CID 167435383

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The IUPAC name of benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate (CID 11077412) is benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate.
What is the SMILES notation for benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The canonical SMILES for benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate is Cn1c(=O)oc2nc(NC(=O)OCc3ccccc3)ccc21.
What is the InChIKey of benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
The InChIKey is KYRIHUYPNKMXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-18-11-7-8-12(16-13(11)22-15(18)20)17-14(19)21-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate?
benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate has a molecular weight of 299.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-methyl-2-oxo-[1,3]oxazolo[5,4-b]pyridin-5-yl)carbamate is sourced from PubChem (CID 11077412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).