2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide

C22H24N2O3 — CID 72837156

IUPAC2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2o1
InChIInChI=1S/C22H24N2O3/c1-24(19-9-5-7-15-6-3-4-8-17(15)19)22(25)16-10-11-18-20(14-16)27-21(23-18)12-13-26-2/h3-4,6,8,10-11,14,19H,5,7,9,12-13H2,1-2H3
InChIKeyLNRQOJRUXXXSLW-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.17
Rot. Bonds5

About 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide

2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 72837156) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID72837156
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2o1
InChIInChI=1S/C22H24N2O3/c1-24(19-9-5-7-15-6-3-4-8-17(15)19)22(25)16-10-11-18-20(14-16)27-21(23-18)12-13-26-2/h3-4,6,8,10-11,14,19H,5,7,9,12-13H2,1-2H3
InChIKeyLNRQOJRUXXXSLW-UHFFFAOYSA-N
XLogP4.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46589652
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42942880
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide (CID 72837156) is 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)N(C)C3CCCc4ccccc43)cc2o1.
What is the InChIKey of 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is LNRQOJRUXXXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-24(19-9-5-7-15-6-3-4-8-17(15)19)22(25)16-10-11-18-20(14-16)27-21(23-18)12-13-26-2/h3-4,6,8,10-11,14,19H,5,7,9,12-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide?
2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 72837156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).