(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C19H29N3O3 — CID 97362793

IUPAC(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-13-16(14(2)25-21-13)11-22-9-7-17-19(12-22,8-10-24-17)18(23)20-15-5-3-4-6-15/h15,17H,3-12H2,1-2H3,(H,20,23)/t17-,19-/m1/s1
InChIKeyRYRMSHIOLNGZMC-IEBWSBKVSA-N
MW347.46 g/mol
LogP2.33
Rot. Bonds4

About (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362793) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362793
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1
InChIInChI=1S/C19H29N3O3/c1-13-16(14(2)25-21-13)11-22-9-7-17-19(12-22,8-10-24-17)18(23)20-15-5-3-4-6-15/h15,17H,3-12H2,1-2H3,(H,20,23)/t17-,19-/m1/s1
InChIKeyRYRMSHIOLNGZMC-IEBWSBKVSA-N
XLogP2.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362793) is (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CCCC2)C1.
What is the InChIKey of (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is RYRMSHIOLNGZMC-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-16(14(2)25-21-13)11-22-9-7-17-19(12-22,8-10-24-17)18(23)20-15-5-3-4-6-15/h15,17H,3-12H2,1-2H3,(H,20,23)/t17-,19-/m1/s1.
What are the key properties of (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-cyclopentyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).