[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate

C14H23N5O4 — CID 66661175

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2(N(C)C)CNC2)on1
InChIInChI=1S/C14H23N5O4/c1-15-12(20)11-6-10(23-18-11)7-22-13(21)17-5-4-14(19(2)3)8-16-9-14/h6,16H,4-5,7-9H2,1-3H3,(H,15,20)(H,17,21)
InChIKeyWONMDBSLOHICDZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.45
Rot. Bonds7

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate (PubChem CID 66661175) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate
PubChem CID66661175
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate
SMILESCNC(=O)c1cc(COC(=O)NCCC2(N(C)C)CNC2)on1
InChIInChI=1S/C14H23N5O4/c1-15-12(20)11-6-10(23-18-11)7-22-13(21)17-5-4-14(19(2)3)8-16-9-14/h6,16H,4-5,7-9H2,1-3H3,(H,15,20)(H,17,21)
InChIKeyWONMDBSLOHICDZ-UHFFFAOYSA-N
XLogP-0.45
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl acetate
CID 11769462
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride
CID 140574102
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-(6-azaspiro[3.4]octan-2-ylmethyl)carbamate;2,2,2-trifluoroacetic acid
CID 158770956
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethyl]carbamate
CID 66660874
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]carbamate
CID 151368384
5-(2-azaspiro[3.3]heptan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90107886
5-(3-azabicyclo[3.1.0]hexan-6-ylcarbamoyloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66789777
(3,4-dichlorophenyl)methyl N-[2-[3-(hydroxycarbamoyl)-1,2-oxazol-5-yl]ethyl]carbamate
CID 142446435
2-ethyl-4-[2-methyl-2-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methoxycarbonylamino]propyl]piperidine-1-carboxylic acid
CID 67366771
5-(methoxymethyl)-N-(4-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 114696404
(3-ethyl-1,2-oxazol-5-yl)methyl N-(2-methylpropyl)carbamate
CID 91305946
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate (CID 66661175) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate is CNC(=O)c1cc(COC(=O)NCCC2(N(C)C)CNC2)on1.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate?
The InChIKey is WONMDBSLOHICDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4/c1-15-12(20)11-6-10(23-18-11)7-22-13(21)17-5-4-14(19(2)3)8-16-9-14/h6,16H,4-5,7-9H2,1-3H3,(H,15,20)(H,17,21).
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate has a molecular weight of 325.37 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-[3-(dimethylamino)azetidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 66661175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).