N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C13H17N3O4 — CID 97404563

IUPACN-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NC1CCCC1)c1nc2c(o1)CN(C(=O)CO)C2
InChIInChI=1S/C13H17N3O4/c17-7-11(18)16-5-9-10(6-16)20-13(15-9)12(19)14-8-3-1-2-4-8/h8,17H,1-7H2,(H,14,19)
InChIKeyIHMSLWSURUAPTQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.18
Rot. Bonds3

About N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97404563) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97404563
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NC1CCCC1)c1nc2c(o1)CN(C(=O)CO)C2
InChIInChI=1S/C13H17N3O4/c17-7-11(18)16-5-9-10(6-16)20-13(15-9)12(19)14-8-3-1-2-4-8/h8,17H,1-7H2,(H,14,19)
InChIKeyIHMSLWSURUAPTQ-UHFFFAOYSA-N
XLogP0.18
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97404563) is N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NC1CCCC1)c1nc2c(o1)CN(C(=O)CO)C2.
What is the InChIKey of N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is IHMSLWSURUAPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-7-11(18)16-5-9-10(6-16)20-13(15-9)12(19)14-8-3-1-2-4-8/h8,17H,1-7H2,(H,14,19).
What are the key properties of N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2-hydroxyacetyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97404563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).