N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

C13H20N2O2 — CID 167416094

IUPACN-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)NC3CC3)CCCC12
InChIInChI=1S/C13H20N2O2/c1-8(2)11-10-4-3-7-13(10,17-15-11)12(16)14-9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyZVCFGAVVFUWPLE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds3

About N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide

N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416094) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416094
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)NC3CC3)CCCC12
InChIInChI=1S/C13H20N2O2/c1-8(2)11-10-4-3-7-13(10,17-15-11)12(16)14-9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyZVCFGAVVFUWPLE-UHFFFAOYSA-N
XLogP1.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416094) is N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC(C)C1=NOC2(C(=O)NC3CC3)CCCC12.
What is the InChIKey of N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is ZVCFGAVVFUWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)11-10-4-3-7-13(10,17-15-11)12(16)14-9-5-6-9/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).