(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C15H20N2O3 — CID 7394494

IUPAC(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)no1
InChIInChI=1S/C15H20N2O3/c1-9-7-11(17-20-9)16-12(19)15-6-5-14(4,10(18)8-15)13(15,2)3/h7H,5-6,8H2,1-4H3,(H,16,17,19)/t14-,15+/m0/s1
InChIKeyYWAXAYJPIRNJPX-LSDHHAIUSA-N
MW276.34 g/mol
LogP2.71
Rot. Bonds2

About (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 7394494) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID7394494
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)no1
InChIInChI=1S/C15H20N2O3/c1-9-7-11(17-20-9)16-12(19)15-6-5-14(4,10(18)8-15)13(15,2)3/h7H,5-6,8H2,1-4H3,(H,16,17,19)/t14-,15+/m0/s1
InChIKeyYWAXAYJPIRNJPX-LSDHHAIUSA-N
XLogP2.71
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 23945554
(1R,4R)-N-(5-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897869
12,15,15-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 4728763
4,7,7-trimethyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2975634
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092
(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830270
methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
1-N-(4-acetylphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983456
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 19245363

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 7394494) is (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is Cc1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)no1.
What is the InChIKey of (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is YWAXAYJPIRNJPX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-7-11(17-20-9)16-12(19)15-6-5-14(4,10(18)8-15)13(15,2)3/h7H,5-6,8H2,1-4H3,(H,16,17,19)/t14-,15+/m0/s1.
What are the key properties of (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4,7,7-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 7394494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).