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

C12H20N2O2 — CID 167416075

IUPACN,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)N(C)C)CCCC12
InChIInChI=1S/C12H20N2O2/c1-8(2)10-9-6-5-7-12(9,16-13-10)11(15)14(3)4/h8-9H,5-7H2,1-4H3
InChIKeyOKEWOOQVRLOQNJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.66
Rot. Bonds2

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

N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (PubChem CID 167416075) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
PubChem CID167416075
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
SMILESCC(C)C1=NOC2(C(=O)N(C)C)CCCC12
InChIInChI=1S/C12H20N2O2/c1-8(2)10-9-6-5-7-12(9,16-13-10)11(15)14(3)4/h8-9H,5-7H2,1-4H3
InChIKeyOKEWOOQVRLOQNJ-UHFFFAOYSA-N
XLogP1.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone
CID 166662425
N-(dimethylcarbamoyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662427
3-methyl-N-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662613
N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662619
(3-Methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
CID 166662632
3-methyl-N-propyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662633
N-(cyclopropylmethyl)-3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662699
N-methoxy-N,3-dimethyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 166662709
3-tert-butyl-N-(dimethylcarbamoyl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416020
(3-Tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
CID 167416054
N-cyclopropyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416094
3-Propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide
CID 167416103

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The IUPAC name of N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide (CID 167416075) is N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The canonical SMILES for N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is CC(C)C1=NOC2(C(=O)N(C)C)CCCC12.
What is the InChIKey of N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
The InChIKey is OKEWOOQVRLOQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)10-9-6-5-7-12(9,16-13-10)11(15)14(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide?
N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole-6a-carboxamide is sourced from PubChem (CID 167416075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).