6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C14H21N3O3 — CID 114946250

IUPAC6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1noc(NC(=O)C2(N)C3CCOC3C2(C)C)c1C
InChIInChI=1S/C14H21N3O3/c1-7-8(2)17-20-11(7)16-12(18)14(15)9-5-6-19-10(9)13(14,3)4/h9-10H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyBHNKSUJTCWADBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.37
Rot. Bonds2

About 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946250) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946250
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1noc(NC(=O)C2(N)C3CCOC3C2(C)C)c1C
InChIInChI=1S/C14H21N3O3/c1-7-8(2)17-20-11(7)16-12(18)14(15)9-5-6-19-10(9)13(14,3)4/h9-10H,5-6,15H2,1-4H3,(H,16,18)
InChIKeyBHNKSUJTCWADBO-UHFFFAOYSA-N
XLogP1.37
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946250) is 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is Cc1noc(NC(=O)C2(N)C3CCOC3C2(C)C)c1C.
What is the InChIKey of 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is BHNKSUJTCWADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-7-8(2)17-20-11(7)16-12(18)14(15)9-5-6-19-10(9)13(14,3)4/h9-10H,5-6,15H2,1-4H3,(H,16,18).
What are the key properties of 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).