1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate

C19H20N4O6 — CID 156566980

IUPAC1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ncco1)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C19H20N4O6/c24-15(10-21-18(26)29-11-16-20-5-8-28-16)22-12-1-2-13-14(9-12)23-17(25)19(13)3-6-27-7-4-19/h1-2,5,8-9H,3-4,6-7,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyQSBFUQSGHUZJDI-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.54
Rot. Bonds5

About 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate

1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate (PubChem CID 156566980) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
PubChem CID156566980
Molecular FormulaC19H20N4O6
Molecular Weight400.39 g/mol
Exact Mass400.14
IUPAC Name1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate
SMILESO=C(CNC(=O)OCc1ncco1)Nc1ccc2c(c1)NC(=O)C21CCOCC1
InChIInChI=1S/C19H20N4O6/c24-15(10-21-18(26)29-11-16-20-5-8-28-16)22-12-1-2-13-14(9-12)23-17(25)19(13)3-6-27-7-4-19/h1-2,5,8-9H,3-4,6-7,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyQSBFUQSGHUZJDI-UHFFFAOYSA-N
XLogP1.54
TPSA131.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The IUPAC name of 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate (CID 156566980) is 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate.
What is the SMILES notation for 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The canonical SMILES for 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate is O=C(CNC(=O)OCc1ncco1)Nc1ccc2c(c1)NC(=O)C21CCOCC1.
What is the InChIKey of 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
The InChIKey is QSBFUQSGHUZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6/c24-15(10-21-18(26)29-11-16-20-5-8-28-16)22-12-1-2-13-14(9-12)23-17(25)19(13)3-6-27-7-4-19/h1-2,5,8-9H,3-4,6-7,10-11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate?
1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate has a molecular weight of 400.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-ylmethyl N-[2-oxo-2-[(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)amino]ethyl]carbamate is sourced from PubChem (CID 156566980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).