(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H26N4O3 — CID 124621003

IUPAC(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@@H]1c2cccn2CCN1C(=O)NCc1cc(COC(C)(C)C)on1
InChIInChI=1S/C18H26N4O3/c1-13-16-6-5-7-21(16)8-9-22(13)17(23)19-11-14-10-15(25-20-14)12-24-18(2,3)4/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyGTWJOPUNPYJUAY-CYBMUJFWSA-N
MW346.43 g/mol
LogP3.08
Rot. Bonds4

About (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 124621003) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID124621003
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@@H]1c2cccn2CCN1C(=O)NCc1cc(COC(C)(C)C)on1
InChIInChI=1S/C18H26N4O3/c1-13-16-6-5-7-21(16)8-9-22(13)17(23)19-11-14-10-15(25-20-14)12-24-18(2,3)4/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyGTWJOPUNPYJUAY-CYBMUJFWSA-N
XLogP3.08
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 128942253
1-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 132762083
(1S)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95189619
(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95777570
3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010777
4-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-4-phenylazepane-1-carboxamide
CID 126811000
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 136530722
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
N-(3,4-dichlorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17486899
tert-butyl N-[2-methyl-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-oxobutan-2-yl]carbamate
CID 56794240
(1S)-N-(2-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711939

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 124621003) is (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is C[C@@H]1c2cccn2CCN1C(=O)NCc1cc(COC(C)(C)C)on1.
What is the InChIKey of (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is GTWJOPUNPYJUAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-16-6-5-7-21(16)8-9-22(13)17(23)19-11-14-10-15(25-20-14)12-24-18(2,3)4/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 124621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).