2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide

C15H18N4O3 — CID 97413690

IUPAC2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
SMILESCCOCc1nc2c(o1)CN(C(=O)NCc1cccnc1)C2
InChIInChI=1S/C15H18N4O3/c1-2-21-10-14-18-12-8-19(9-13(12)22-14)15(20)17-7-11-4-3-5-16-6-11/h3-6H,2,7-10H2,1H3,(H,17,20)
InChIKeyJIHNDIHWDJQQNL-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.83
Rot. Bonds5

About 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide

2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide (PubChem CID 97413690) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
PubChem CID97413690
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
SMILESCCOCc1nc2c(o1)CN(C(=O)NCc1cccnc1)C2
InChIInChI=1S/C15H18N4O3/c1-2-21-10-14-18-12-8-19(9-13(12)22-14)15(20)17-7-11-4-3-5-16-6-11/h3-6H,2,7-10H2,1H3,(H,17,20)
InChIKeyJIHNDIHWDJQQNL-UHFFFAOYSA-N
XLogP1.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
1-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170511993
N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442819
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
methyl (3S,4R)-4-(4-hydroxyphenyl)-1-(pyridin-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylate
CID 166245865
formic acid;N-[2-oxo-2-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethyl]acetamide
CID 171338669
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 170503368
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The IUPAC name of 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide (CID 97413690) is 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide.
What is the SMILES notation for 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The canonical SMILES for 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide is CCOCc1nc2c(o1)CN(C(=O)NCc1cccnc1)C2.
What is the InChIKey of 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The InChIKey is JIHNDIHWDJQQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-21-10-14-18-12-8-19(9-13(12)22-14)15(20)17-7-11-4-3-5-16-6-11/h3-6H,2,7-10H2,1H3,(H,17,20).
What are the key properties of 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 97413690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).