N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

C18H24N2O4 — CID 42094986

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2o1
InChIInChI=1S/C18H24N2O4/c1-18(2)11-13(6-9-23-18)19-17(21)12-4-5-14-15(10-12)24-16(20-14)7-8-22-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWCKXZGXFDPGPEQ-CYBMUJFWSA-N
MW332.40 g/mol
LogP2.70
Rot. Bonds5

About N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 42094986) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID42094986
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2o1
InChIInChI=1S/C18H24N2O4/c1-18(2)11-13(6-9-23-18)19-17(21)12-4-5-14-15(10-12)24-16(20-14)7-8-22-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyWCKXZGXFDPGPEQ-CYBMUJFWSA-N
XLogP2.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide (CID 42094986) is N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2o1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is WCKXZGXFDPGPEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2)11-13(6-9-23-18)19-17(21)12-4-5-14-15(10-12)24-16(20-14)7-8-22-3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42094986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).