N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H22N2O2 — CID 91784738

IUPACN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCCc1cc(CNC(=O)C2CCc3ccccc3C2)on1
InChIInChI=1S/C18H22N2O2/c1-2-5-16-11-17(22-20-16)12-19-18(21)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-7,11,15H,2,5,8-10,12H2,1H3,(H,19,21)
InChIKeyAYGKPCAMLKEBPR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.05
Rot. Bonds5

About N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 91784738) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID91784738
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCCCc1cc(CNC(=O)C2CCc3ccccc3C2)on1
InChIInChI=1S/C18H22N2O2/c1-2-5-16-11-17(22-20-16)12-19-18(21)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-7,11,15H,2,5,8-10,12H2,1H3,(H,19,21)
InChIKeyAYGKPCAMLKEBPR-UHFFFAOYSA-N
XLogP3.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91782128
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
CID 23063364
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
(2S)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]morpholine-2-carboxamide
CID 125441092
N-[(1S,2S,4S)-2-hydroxy-4-[(3-propyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclohexyl]-1H-imidazole-5-carboxamide
CID 162625910
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126438580
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 91784738) is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CCCc1cc(CNC(=O)C2CCc3ccccc3C2)on1.
What is the InChIKey of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AYGKPCAMLKEBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-5-16-11-17(22-20-16)12-19-18(21)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-7,11,15H,2,5,8-10,12H2,1H3,(H,19,21).
What are the key properties of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).