N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

C14H22N2O4 — CID 110126061

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](N(C)C(=O)c2ncoc2C)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-9-12(15-8-20-9)14(18)16(2)10-6-4-5-7-11(19-3)13(10)17/h8,10-11,13,17H,4-7H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyPDMWKZWTBVLPGK-NQBHXWOUSA-N
MW282.34 g/mol
LogP1.37
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 110126061) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID110126061
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCO[C@@H]1CCCC[C@@H](N(C)C(=O)c2ncoc2C)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-9-12(15-8-20-9)14(18)16(2)10-6-4-5-7-11(19-3)13(10)17/h8,10-11,13,17H,4-7H2,1-3H3/t10-,11-,13-/m1/s1
InChIKeyPDMWKZWTBVLPGK-NQBHXWOUSA-N
XLogP1.37
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 110126061) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is CO[C@@H]1CCCC[C@@H](N(C)C(=O)c2ncoc2C)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is PDMWKZWTBVLPGK-NQBHXWOUSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-12(15-8-20-9)14(18)16(2)10-6-4-5-7-11(19-3)13(10)17/h8,10-11,13,17H,4-7H2,1-3H3/t10-,11-,13-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110126061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).