[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride

C18H31ClN4O4 — CID 140574102

IUPAC[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride
SMILESCCC1(C(C)(C)CNC(=O)OCc2cc(C(=O)NC)no2)CCNCC1.Cl
InChIInChI=1S/C18H30N4O4.ClH/c1-5-18(6-8-20-9-7-18)17(2,3)12-21-16(24)25-11-13-10-14(22-26-13)15(23)19-4;/h10,20H,5-9,11-12H2,1-4H3,(H,19,23)(H,21,24);1H
InChIKeyHDQYRUNGKFWODE-UHFFFAOYSA-N
MW402.92 g/mol
LogP2.49
Rot. Bonds7

About [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride

[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride (PubChem CID 140574102) has the molecular formula C18H31ClN4O4 and a molecular weight of 402.92 g/mol. Its IUPAC name is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride.

Molecular Properties

Compound Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride
PubChem CID140574102
Molecular FormulaC18H31ClN4O4
Molecular Weight402.92 g/mol
Exact Mass402.20
IUPAC Name[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride
SMILESCCC1(C(C)(C)CNC(=O)OCc2cc(C(=O)NC)no2)CCNCC1.Cl
InChIInChI=1S/C18H30N4O4.ClH/c1-5-18(6-8-20-9-7-18)17(2,3)12-21-16(24)25-11-13-10-14(22-26-13)15(23)19-4;/h10,20H,5-9,11-12H2,1-4H3,(H,19,23)(H,21,24);1H
InChIKeyHDQYRUNGKFWODE-UHFFFAOYSA-N
XLogP2.49
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71926236
5-(methoxymethyl)-N-[2-(2-methylpropyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 75446716
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
CID 75534327
Methyl 3-(cycloheptylcarbamoyl)-1,2-oxazole-5-carboxylate
CID 121560384
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
Ethyl 5-[(4-fluoropiperidin-4-yl)methylcarbamoyloxymethyl]-1,2-oxazole-3-carboxylate
CID 66660924
N-(oxolan-3-ylmethyl)-5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90325944
5-(cyclohexa-1,5-dien-1-ylmethoxymethyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 129214844
5-[(3-fluoro-4a,8a-dihydronaphthalen-2-yl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 134390147
5-[[(3E,5E)-3,5-difluoro-2-methylidenehepta-3,5-dienoxy]methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 134390272

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride?
The IUPAC name of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride (CID 140574102) is [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride.
What is the SMILES notation for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride?
The canonical SMILES for [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride is CCC1(C(C)(C)CNC(=O)OCc2cc(C(=O)NC)no2)CCNCC1.Cl.
What is the InChIKey of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride?
The InChIKey is HDQYRUNGKFWODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4.ClH/c1-5-18(6-8-20-9-7-18)17(2,3)12-21-16(24)25-11-13-10-14(22-26-13)15(23)19-4;/h10,20H,5-9,11-12H2,1-4H3,(H,19,23)(H,21,24);1H.
What are the key properties of [3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride?
[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl N-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 2.49, 7 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-[2-(4-ethylpiperidin-4-yl)-2-methylpropyl]carbamate;hydrochloride is sourced from PubChem (CID 140574102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).