(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide

C12H14N2O3 — CID 167914324

IUPAC(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide
SMILESCc1cnc(NC(=O)[C@]23C[C@@H]4C[C@@H]2C3C4O)o1
InChIInChI=1S/C12H14N2O3/c1-5-4-13-11(17-5)14-10(16)12-3-6-2-7(12)8(12)9(6)15/h4,6-9,15H,2-3H2,1H3,(H,13,14,16)/t6-,7+,8?,9?,12+/m0/s1
InChIKeyYKVCJHNBMQRVCV-PMILTDCNSA-N
MW234.25 g/mol
LogP0.94
Rot. Bonds2

About (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide

(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide (PubChem CID 167914324) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide
PubChem CID167914324
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide
SMILESCc1cnc(NC(=O)[C@]23C[C@@H]4C[C@@H]2C3C4O)o1
InChIInChI=1S/C12H14N2O3/c1-5-4-13-11(17-5)14-10(16)12-3-6-2-7(12)8(12)9(6)15/h4,6-9,15H,2-3H2,1H3,(H,13,14,16)/t6-,7+,8?,9?,12+/m0/s1
InChIKeyYKVCJHNBMQRVCV-PMILTDCNSA-N
XLogP0.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide with MolForge

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Related Compounds

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(E)-N-(5-methyl-1,3-oxazol-2-yl)-3-methylsulfanylprop-2-enamide
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CID 90064526
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N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 154767484
4-[(13S,15R)-3-chloro-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-methyl-1,3-oxazol-2-yl)butanamide
CID 167036028

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide?
The IUPAC name of (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide (CID 167914324) is (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide.
What is the SMILES notation for (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide?
The canonical SMILES for (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide is Cc1cnc(NC(=O)[C@]23C[C@@H]4C[C@@H]2C3C4O)o1.
What is the InChIKey of (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide?
The InChIKey is YKVCJHNBMQRVCV-PMILTDCNSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-5-4-13-11(17-5)14-10(16)12-3-6-2-7(12)8(12)9(6)15/h4,6-9,15H,2-3H2,1H3,(H,13,14,16)/t6-,7+,8?,9?,12+/m0/s1.
What are the key properties of (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide?
(1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6R)-3-hydroxy-N-(5-methyl-1,3-oxazol-2-yl)tricyclo[2.2.1.02,6]heptane-1-carboxamide is sourced from PubChem (CID 167914324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).