propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate

C22H32N4O6 — CID 142195417

IUPACpropyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate
SMILESCCCCC(O)C(O)C(Cc1ccncc1)NC(=O)c1coc(N(C)C(=O)OCCC)n1
InChIInChI=1S/C22H32N4O6/c1-4-6-7-18(27)19(28)16(13-15-8-10-23-11-9-15)24-20(29)17-14-32-21(25-17)26(3)22(30)31-12-5-2/h8-11,14,16,18-19,27-28H,4-7,12-13H2,1-3H3,(H,24,29)
InChIKeyDCRATHWVFIZULX-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.31
Rot. Bonds12

About propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate

propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate (PubChem CID 142195417) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate
PubChem CID142195417
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Namepropyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate
SMILESCCCCC(O)C(O)C(Cc1ccncc1)NC(=O)c1coc(N(C)C(=O)OCCC)n1
InChIInChI=1S/C22H32N4O6/c1-4-6-7-18(27)19(28)16(13-15-8-10-23-11-9-15)24-20(29)17-14-32-21(25-17)26(3)22(30)31-12-5-2/h8-11,14,16,18-19,27-28H,4-7,12-13H2,1-3H3,(H,24,29)
InChIKeyDCRATHWVFIZULX-UHFFFAOYSA-N
XLogP2.31
TPSA138.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate?
The IUPAC name of propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate (CID 142195417) is propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate.
What is the SMILES notation for propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate?
The canonical SMILES for propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate is CCCCC(O)C(O)C(Cc1ccncc1)NC(=O)c1coc(N(C)C(=O)OCCC)n1.
What is the InChIKey of propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate?
The InChIKey is DCRATHWVFIZULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6/c1-4-6-7-18(27)19(28)16(13-15-8-10-23-11-9-15)24-20(29)17-14-32-21(25-17)26(3)22(30)31-12-5-2/h8-11,14,16,18-19,27-28H,4-7,12-13H2,1-3H3,(H,24,29).
What are the key properties of propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate?
propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate has a molecular weight of 448.52 g/mol, XLogP of 2.31, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[(3,4-dihydroxy-1-pyridin-4-yloctan-2-yl)carbamoyl]-1,3-oxazol-2-yl]-N-methylcarbamate is sourced from PubChem (CID 142195417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).