[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate

C12H18N4O4 — CID 66661107

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate
SMILESCNC(=O)c1cc(COC(=O)NCC2CCNC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-4-9(20-16-10)7-19-12(18)15-6-8-2-3-14-5-8/h4,8,14H,2-3,5-7H2,1H3,(H,13,17)(H,15,18)
InChIKeyCMCUCPJRIMCSKQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.13
Rot. Bonds5

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate (PubChem CID 66661107) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate
PubChem CID66661107
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate
SMILESCNC(=O)c1cc(COC(=O)NCC2CCNC2)on1
InChIInChI=1S/C12H18N4O4/c1-13-11(17)10-4-9(20-16-10)7-19-12(18)15-6-8-2-3-14-5-8/h4,8,14H,2-3,5-7H2,1H3,(H,13,17)(H,15,18)
InChIKeyCMCUCPJRIMCSKQ-UHFFFAOYSA-N
XLogP-0.13
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate (CID 66661107) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate is CNC(=O)c1cc(COC(=O)NCC2CCNC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate?
The InChIKey is CMCUCPJRIMCSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-11(17)10-4-9(20-16-10)7-19-12(18)15-6-8-2-3-14-5-8/h4,8,14H,2-3,5-7H2,1H3,(H,13,17)(H,15,18).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate has a molecular weight of 282.30 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(pyrrolidin-3-ylmethyl)carbamate is sourced from PubChem (CID 66661107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).