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

C17H20N2O3 — CID 95177201

IUPACN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C17H20N2O3/c1-11-15(12(2)22-19-11)16(20)18-10-17(21)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,21H,5,7,9-10H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyPXFCMRJVXPVUAK-KRWDZBQOSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds3

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

N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 95177201) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID95177201
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21
InChIInChI=1S/C17H20N2O3/c1-11-15(12(2)22-19-11)16(20)18-10-17(21)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,21H,5,7,9-10H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyPXFCMRJVXPVUAK-KRWDZBQOSA-N
XLogP2.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 3286571
N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 2812771
N-[1-(3,4-dimethylphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2971204
5-methyl-3-phenyl-N-(1-phenylethyl)-4-isoxazolecarboxamide
CID 2862071
3-anthracen-9-yl-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 44590676
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
CID 2971120
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9162984
5-methyl-N-[(4-methylphenyl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2648543
5-ethyl-N-(2-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 59170174
N-benzyl-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741179

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 95177201) is N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21.
What is the InChIKey of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is PXFCMRJVXPVUAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-15(12(2)22-19-11)16(20)18-10-17(21)9-5-7-13-6-3-4-8-14(13)17/h3-4,6,8,21H,5,7,9-10H2,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95177201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).