5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide

C17H20N2O3 — CID 96565847

IUPAC5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@]2(C)CCc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O3/c1-17(8-7-12-5-3-4-6-13(12)10-17)18-16(20)15-9-14(11-21-2)22-19-15/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyNIMIEDKCSGFKTG-QGZVFWFLSA-N
MW300.36 g/mol
LogP2.50
Rot. Bonds4

About 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 96565847) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID96565847
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@]2(C)CCc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O3/c1-17(8-7-12-5-3-4-6-13(12)10-17)18-16(20)15-9-14(11-21-2)22-19-15/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,20)/t17-/m1/s1
InChIKeyNIMIEDKCSGFKTG-QGZVFWFLSA-N
XLogP2.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
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N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119566646
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
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CID 113294761
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
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N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide (CID 96565847) is 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@]2(C)CCc3ccccc3C2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NIMIEDKCSGFKTG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(8-7-12-5-3-4-6-13(12)10-17)18-16(20)15-9-14(11-21-2)22-19-15/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,20)/t17-/m1/s1.
What are the key properties of 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96565847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).