2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide

C19H31N3O2 — CID 3797406

IUPAC2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC2CC3CC(C2C)C3(C)C)co1
InChIInChI=1S/C19H31N3O2/c1-5-6-7-14(20)18-22-16(10-24-18)17(23)21-15-9-12-8-13(11(15)2)19(12,3)4/h10-15H,5-9,20H2,1-4H3,(H,21,23)
InChIKeyADZRXJOCBSYSLH-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.67
Rot. Bonds6

About 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide (PubChem CID 3797406) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
PubChem CID3797406
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC2CC3CC(C2C)C3(C)C)co1
InChIInChI=1S/C19H31N3O2/c1-5-6-7-14(20)18-22-16(10-24-18)17(23)21-15-9-12-8-13(11(15)2)19(12,3)4/h10-15H,5-9,20H2,1-4H3,(H,21,23)
InChIKeyADZRXJOCBSYSLH-UHFFFAOYSA-N
XLogP3.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide (CID 3797406) is 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NC2CC3CC(C2C)C3(C)C)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ADZRXJOCBSYSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-6-7-14(20)18-22-16(10-24-18)17(23)21-15-9-12-8-13(11(15)2)19(12,3)4/h10-15H,5-9,20H2,1-4H3,(H,21,23).
What are the key properties of 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3797406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).