5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C11H15N3O3 — CID 97410648

IUPAC5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCCCNC(=O)c1nc2c(o1)CN(C(C)=O)C2
InChIInChI=1S/C11H15N3O3/c1-3-4-12-10(16)11-13-8-5-14(7(2)15)6-9(8)17-11/h3-6H2,1-2H3,(H,12,16)
InChIKeyXOXRUMZPKDWNMG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.68
Rot. Bonds3

About 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97410648) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97410648
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCCCNC(=O)c1nc2c(o1)CN(C(C)=O)C2
InChIInChI=1S/C11H15N3O3/c1-3-4-12-10(16)11-13-8-5-14(7(2)15)6-9(8)17-11/h3-6H2,1-2H3,(H,12,16)
InChIKeyXOXRUMZPKDWNMG-UHFFFAOYSA-N
XLogP0.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-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

2,5-dimethyl-N-[2-(1-pyrrolidinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195165
N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97404563
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407305
5-[2-(dimethylamino)acetyl]-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97407310
N-cyclopentyl-5-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97416010
2-(Dimethylamino)-1-[2-(4-methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
CID 97442826
[5-(Cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 97515419
N-cyclopentyl-5-(3-hydroxypropanoyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97515433
[5-(Cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]-pyrrolidin-1-ylmethanone
CID 97525772
(4-Methyl-1,4-diazepan-1-yl)-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)methanone
CID 97525821
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118742652

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97410648) is 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is CCCNC(=O)c1nc2c(o1)CN(C(C)=O)C2.
What is the InChIKey of 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is XOXRUMZPKDWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-4-12-10(16)11-13-8-5-14(7(2)15)6-9(8)17-11/h3-6H2,1-2H3,(H,12,16).
What are the key properties of 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-propyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97410648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).