(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide

C17H22N2O3 — CID 125447128

IUPAC(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@@](C)(C(=O)NCC2(COc3ccccc3)CC2)C1
InChIInChI=1S/C17H22N2O3/c1-13-10-16(2,22-19-13)15(20)18-11-17(8-9-17)12-21-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyYOODJEIMLUBTGD-MRXNPFEDSA-N
MW302.37 g/mol
LogP2.52
Rot. Bonds6

About (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide

(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 125447128) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID125447128
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@@](C)(C(=O)NCC2(COc3ccccc3)CC2)C1
InChIInChI=1S/C17H22N2O3/c1-13-10-16(2,22-19-13)15(20)18-11-17(8-9-17)12-21-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyYOODJEIMLUBTGD-MRXNPFEDSA-N
XLogP2.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide (CID 125447128) is (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide is CC1=NO[C@@](C)(C(=O)NCC2(COc3ccccc3)CC2)C1.
What is the InChIKey of (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is YOODJEIMLUBTGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-10-16(2,22-19-13)15(20)18-11-17(8-9-17)12-21-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide?
(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125447128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).