(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

C19H25N3O4 — CID 138013174

IUPAC(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1nc(CC2CC2)oc1C(=O)N1[C@H](C(=O)NC2CC2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H25N3O4/c1-10-17(26-16(20-10)8-11-2-3-11)19(24)22-13-6-7-25-15(13)9-14(22)18(23)21-12-4-5-12/h11-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15-/m0/s1
InChIKeyZSNLEJRDECIFKH-KKUMJFAQSA-N
MW359.43 g/mol
LogP1.59
Rot. Bonds5

About (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 138013174) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
PubChem CID138013174
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESCc1nc(CC2CC2)oc1C(=O)N1[C@H](C(=O)NC2CC2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C19H25N3O4/c1-10-17(26-16(20-10)8-11-2-3-11)19(24)22-13-6-7-25-15(13)9-14(22)18(23)21-12-4-5-12/h11-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15-/m0/s1
InChIKeyZSNLEJRDECIFKH-KKUMJFAQSA-N
XLogP1.59
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (CID 138013174) is (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is Cc1nc(CC2CC2)oc1C(=O)N1[C@H](C(=O)NC2CC2)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZSNLEJRDECIFKH-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-10-17(26-16(20-10)8-11-2-3-11)19(24)22-13-6-7-25-15(13)9-14(22)18(23)21-12-4-5-12/h11-15H,2-9H2,1H3,(H,21,23)/t13-,14-,15-/m0/s1.
What are the key properties of (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 138013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).