2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide

C11H13N3O2 — CID 75395391

IUPAC2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCc1ncoc1C
InChIInChI=1S/C11H13N3O2/c1-7-9(3-4-12-7)11(15)13-5-10-8(2)16-6-14-10/h3-4,6,12H,5H2,1-2H3,(H,13,15)
InChIKeyJJGHFGBASVZPBE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide

2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 75395391) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID75395391
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NCc1ncoc1C
InChIInChI=1S/C11H13N3O2/c1-7-9(3-4-12-7)11(15)13-5-10-8(2)16-6-14-10/h3-4,6,12H,5H2,1-2H3,(H,13,15)
InChIKeyJJGHFGBASVZPBE-UHFFFAOYSA-N
XLogP1.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]methyl}-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085707
N-[2-(dimethylamino)ethyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442827
4-methyl-N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 91920366
N-{4-[(Dimethylamino)methyl]-1-[(pyridin-3-YL)methyl]pyrrolidin-3-YL}-4-methyl-1,3-oxazole-5-carboxamide
CID 91922903
4-methyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 110876518
N-(2-{[(5-methyl-1,3-oxazol-4-yl)carbonyl]amino}ethyl)nicotinamide
CID 74231942
2,4-Dimethyl-N-[(4-methylpyridin-2-YL)methyl]-1,3-oxazole-5-carboxamide
CID 122561906
N-(1,3-oxazol-4-ylmethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 137974232
5-Fluoro-N-((5-methyloxazol-4-yl)methyl)nicotinamide
CID 75496761
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 103337331
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 113240950
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 113247112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide (CID 75395391) is 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NCc1ncoc1C.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JJGHFGBASVZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-9(3-4-12-7)11(15)13-5-10-8(2)16-6-14-10/h3-4,6,12H,5H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75395391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).