(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide

C19H22N2O2 — CID 101351737

IUPAC(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-19(2,3)18-21-15(17(22)20-4)16(23-18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15-16H,1-4H3,(H,20,22)/t15-,16-/m1/s1
InChIKeySIFWBUOVEGEFDW-HZPDHXFCSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds2

About (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 101351737) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID101351737
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-19(2,3)18-21-15(17(22)20-4)16(23-18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15-16H,1-4H3,(H,20,22)/t15-,16-/m1/s1
InChIKeySIFWBUOVEGEFDW-HZPDHXFCSA-N
XLogP3.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 101351737) is (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide is CNC(=O)[C@@H]1N=C(C(C)(C)C)O[C@@H]1c1cccc2ccccc12.
What is the InChIKey of (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is SIFWBUOVEGEFDW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)18-21-15(17(22)20-4)16(23-18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15-16H,1-4H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-tert-butyl-N-methyl-5-naphthalen-1-yl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 101351737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).